Hot electrons in superlattices: quantum transport versus Boltzmann equation
DEFF Research Database (Denmark)
Wacker, Andreas; Jauho, Antti-Pekka; Rott, S.
1999-01-01
A self-consistent solution of the transport equation is presented for semiconductor superlattices within different approaches: (i) a full quantum transport model based on nonequilibrium Green functions, (ii) the semiclassical Boltzmann equation for electrons in a miniband, and (iii) Boltzmann...... equation for electrons in Wannier-Stark states. We find good quantitative agreement of the approximations (ii) and (iii) with (i) in their respective ranges of validity. (C) 1999 Elsevier Science B.V. All rights reserved....
Particle methods for Boltzmann equation
International Nuclear Information System (INIS)
Hermeline, F.
1985-05-01
This work is aimed at showing how to discretize an equation such as Boltzmann equation in its most general form, by particle methods. Then method is applied to some equations of plasma physics which appear as peculiar cases of Boltzmann equation, such as Vlasov equation, Bhatnager-Gross-Krook equation, Fokker-Planck equation and neutron transport equation [fr
Multimesh anisotropic adaptivity for the Boltzmann transport equation
International Nuclear Information System (INIS)
Baker, C.M.J.; Buchan, A.G.; Pain, C.C.; Farrell, P.E.; Eaton, M.D.; Warner, P.
2013-01-01
Highlights: ► We solve the Boltzmann transport equation using anisotropically adaptive finite element meshes. ► The finite element mesh is resolved with minimal user input. ► Anisotropic adaptivity uses less elements than adaptive mesh refinement for the same finite element error. ► This paper also demonstrates the use of separate meshes for each energy group within the multigroup discretisation. ► The methods are applied to a range of fixed source and eigenvalue problems. - Abstract: This article presents a new adaptive finite element based method for the solution of the spatial dimensions of the Boltzmann transport equation. The method applies a curvature based error metric to locate the under and over resolved regions of a solution and this, in turn, is used to guide the refinement and coarsening of the spatial mesh. The error metrics and re-meshing procedures are designed such that they enable anisotropic resolution to form in the mesh should it be appropriate to do so. The adaptive mesh enables the appropriate resolution to be applied throughout the whole domain of a problem and so increase the efficiency of the solution procedure. Another new approach is also described that allows independent adaptive meshes to form for each of the energy group fluxes. The use of independent meshes can significantly improve computational efficiency when solving problems where the different group fluxes require high resolution over different regions. The mesh to mesh interpolation is made possible through the use of a ‘supermeshing’ procedure that ensures the conservation of particles when calculating the group to group scattering sources. Finally it is shown how these methods can be incorporated within a solver to resolve both fixed source and eigenvalue problems. A selection of both fixed source and eigenvalue problems are solved in order to demonstrate the capabilities of these methods
An introduction to the Boltzmann equation and transport processes in gases
Kremer, Gilberto M; Colton, David
2010-01-01
This book covers classical kinetic theory of gases, presenting basic principles in a self-contained framework and from a more rigorous approach based on the Boltzmann equation. Uses methods in kinetic theory for determining the transport coefficients of gases.
Velocity-Field Theory, Boltzmann's Transport Equation and Geometry
Ichinose, Shoichi
Boltzmann equation describes the time development of the velocity distribution in the continuum fluid matter. We formulate the equation using the field theory where the velocity-field plays the central role. The matter (constituent particles) fields appear as the density and the viscosity. Fluctuation is examined, and is clearly discriminated from the quantum effect. The time variable is emergently introduced through the computational process step. The collision term, for the (velocity)**4 potential (4-body interaction), is explicitly obtained and the (statistical) fluctuation is closely explained. The present field theory model does not conserve energy and is an open-system model. (One dimensional) Navier-Stokes equation or Burger's equation, appears. In the latter part, we present a way to directly define the distribution function by use of the geometry, appearing in the mechanical dynamics, and Feynman's path-integral.
Punshon-Smith, Samuel; Smith, Scott
2018-02-01
This article studies the Cauchy problem for the Boltzmann equation with stochastic kinetic transport. Under a cut-off assumption on the collision kernel and a coloring hypothesis for the noise coefficients, we prove the global existence of renormalized (in the sense of DiPerna/Lions) martingale solutions to the Boltzmann equation for large initial data with finite mass, energy, and entropy. Our analysis includes a detailed study of weak martingale solutions to a class of linear stochastic kinetic equations. This study includes a criterion for renormalization, the weak closedness of the solution set, and tightness of velocity averages in {{L}1}.
International Nuclear Information System (INIS)
Rodriguez, Barbara D. do Amaral; Vilhena, Marco Tullio
2009-01-01
Questions regarding accuracy and efficiency of deterministic transport methods are still on our mind today, even with modern supercomputers. The most versatile and widely used deterministic methods are the P N approximation, the S N method (discrete ordinates method) and their variants. In the discrete ordinates (S N ) formulations of the transport equation, it is assumed that the linearized Boltzmann equation only holds for a set of distinct numerical values of the direction-of-motion variables. In this work, looking forward to confirm the capabilities of deterministic methods in obtaining accurate results, we present a general overview of deterministic methods to solve the Boltzmann transport equation for neutral and charged particles. First, we describe a review in the Laplace transform technique applied to S N two dimensional transport equation in a rectangular domain considering Compton scattering. Next, we solved the Fokker-Planck (FP) equation, an alternative approach for the Boltzmann transport equation, assuming a monoenergetic electron beam in a rectangular domain. The main idea relies on applying the P N approximation, a recent advance in the class of deterministic methods, in the angular variable, to the two dimensional Fokker-Planck equation and then applying the Laplace Transform in the spatial x-variable. Numerical results are given to illustrate the accuracy of deterministic methods presented. (author)
Inelastic Quantum Transport in Superlattices: Success and Failure of the Boltzmann Equation
DEFF Research Database (Denmark)
Wacker, Andreas; Jauho, Antti-Pekka; Rott, Stephan
1999-01-01
the whole held range from linear response to negative differential conductivity. The quantum results are compared with the respective results obtained from a Monte Carlo solution of the Boltzmann equation. Our analysis thus sets the limits of validity for the semiclassical theory in a nonlinear transport...
Parallel computing solution of Boltzmann neutron transport equation
International Nuclear Information System (INIS)
Ansah-Narh, T.
2010-01-01
The focus of the research was on developing parallel computing algorithm for solving Eigen-values of the Boltzmam Neutron Transport Equation (BNTE) in a slab geometry using multi-grid approach. In response to the problem of slow execution of serial computing when solving large problems, such as BNTE, the study was focused on the design of parallel computing systems which was an evolution of serial computing that used multiple processing elements simultaneously to solve complex physical and mathematical problems. Finite element method (FEM) was used for the spatial discretization scheme, while angular discretization was accomplished by expanding the angular dependence in terms of Legendre polynomials. The eigenvalues representing the multiplication factors in the BNTE were determined by the power method. MATLAB Compiler Version 4.1 (R2009a) was used to compile the MATLAB codes of BNTE. The implemented parallel algorithms were enabled with matlabpool, a Parallel Computing Toolbox function. The option UseParallel was set to 'always' and the default value of the option was 'never'. When those conditions held, the solvers computed estimated gradients in parallel. The parallel computing system was used to handle all the bottlenecks in the matrix generated from the finite element scheme and each domain of the power method generated. The parallel algorithm was implemented on a Symmetric Multi Processor (SMP) cluster machine, which had Intel 32 bit quad-core x 86 processors. Convergence rates and timings for the algorithm on the SMP cluster machine were obtained. Numerical experiments indicated the designed parallel algorithm could reach perfect speedup and had good stability and scalability. (au)
Feng, Yue
Plasma is currently a hot topic and it has many significant applications due to its composition of both positively and negatively charged particles. The energy distribution function is important in plasma science since it characterizes the ability of the plasma to affect chemical reactions, affect physical outcomes, and drive various applications. The Boltzmann Transport Equation is an important kinetic equation that provides an accurate basis for characterizing the distribution function---both in energy and space. This dissertation research proposes a multi-term approximation to solve the Boltzmann Transport Equation by treating the relaxation process using an expansion of the electron distribution function in Legendre polynomials. The elastic and 29 inelastic cross sections for electron collisions with nitrogen molecules (N2) and singly ionized nitrogen molecules ( N+2 ) have been used in this application of the Boltzmann Transport Equation. Different numerical methods have been considered to compare the results. The numerical methods discussed in this thesis are the implicit time-independent method, the time-dependent Euler method, the time-dependent Runge-Kutta method, and finally the implicit time-dependent relaxation method by generating the 4-way grid with a matrix solver. The results show that the implicit time-dependent relaxation method is the most accurate and stable method for obtaining reliable results. The results were observed to match with the published experimental data rather well.
Bouchard, Hugo; Bielajew, Alex
2015-07-07
To establish a theoretical framework for generalizing Monte Carlo transport algorithms by adding external electromagnetic fields to the Boltzmann radiation transport equation in a rigorous and consistent fashion. Using first principles, the Boltzmann radiation transport equation is modified by adding a term describing the variation of the particle distribution due to the Lorentz force. The implications of this new equation are evaluated by investigating the validity of Fano's theorem. Additionally, Lewis' approach to multiple scattering theory in infinite homogeneous media is redefined to account for the presence of external electromagnetic fields. The equation is modified and yields a description consistent with the deterministic laws of motion as well as probabilistic methods of solution. The time-independent Boltzmann radiation transport equation is generalized to account for the electromagnetic forces in an additional operator similar to the interaction term. Fano's and Lewis' approaches are stated in this new equation. Fano's theorem is found not to apply in the presence of electromagnetic fields. Lewis' theory for electron multiple scattering and moments, accounting for the coupling between the Lorentz force and multiple elastic scattering, is found. However, further investigation is required to develop useful algorithms for Monte Carlo and deterministic transport methods. To test the accuracy of Monte Carlo transport algorithms in the presence of electromagnetic fields, the Fano cavity test, as currently defined, cannot be applied. Therefore, new tests must be designed for this specific application. A multiple scattering theory that accurately couples the Lorentz force with elastic scattering could improve Monte Carlo efficiency. The present study proposes a new theoretical framework to develop such algorithms.
A multi scale approximation solution for the time dependent Boltzmann-transport equation
International Nuclear Information System (INIS)
Merk, B.
2004-03-01
The basis of all transient simulations for nuclear reactor cores is the reliable calculation of the power production. The local power distribution is generally calculated by solving the space, time, energy and angle dependent neutron transport equation known as Boltzmann equation. The computation of exact solutions of the Boltzmann equation is very time consuming. For practical numerical simulations approximated solutions are usually unavoidable. The objective of this work is development of an effective multi scale approximation solution for the Boltzmann equation. Most of the existing methods are based on separation of space and time. The new suggested method is performed without space-time separation. This effective approximation solution is developed on the basis of an expansion for the time derivative of different approximations to the Boltzmann equation. The method of multiple scale expansion is used for the expansion of the time derivative, because the problem of the stiff time behaviour can't be expressed by standard expansion methods. This multiple scale expansion is used in this work to develop approximation solutions for different approximations of the Boltzmann equation, starting from the expansion of the point kinetics equations. The resulting analytic functions are used for testing the applicability and accuracy of the multiple scale expansion method for an approximation solution with 2 delayed neutron groups. The results are tested versus the exact analytical results for the point kinetics equations. Very good agreement between both solutions is obtained. The validity of the solution with 2 delayed neutron groups to approximate the behaviour of the system with 6 delayed neutron groups is demonstrated in an additional analysis. A strategy for a solution with 4 delayed neutron groups is described. A multiple scale expansion is performed for the space-time dependent diffusion equation for one homogenized cell with 2 delayed neutron groups. The result is
Quadratic inner element subgrid scale discretisation of the Boltzmann transport equation
International Nuclear Information System (INIS)
Baker, C.M.J.; Buchan, A.G.; Pain, C.C.; Tollit, B.; Eaton, M.D.; Warner, P.
2012-01-01
This paper explores the application of the inner element subgrid scale method to the Boltzmann transport equation using quadratic basis functions. Previously, only linear basis functions for both the coarse scale and the fine scale were considered. This paper, therefore, analyses the advantages of using different coarse and subgrid basis functions for increasing the accuracy of the subgrid scale method. The transport of neutral particle radiation may be described by the Boltzmann transport equation (BTE) which, due to its 7 dimensional phase space, is computationally expensive to resolve. Multi-scale methods offer an approach to efficiently resolve the spatial dimensions of the BTE by separating the solution into its coarse and fine scales and formulating a solution whereby only the computationally efficient coarse scales need to be solved. In previous work an inner element subgrid scale method was developed that applied a linear continuous and discontinuous finite element method to represent the solution’s coarse and fine scale components. This approach was shown to generate efficient and stable solutions, and so this article continues its development by formulating higher order quadratic finite element expansions over the continuous and discontinuous scales. Here it is shown that a solution’s convergence can be improved significantly using higher order basis functions. Furthermore, by using linear finite elements to represent coarse scales in combination with quadratic fine scales, convergence can also be improved with only a modest increase in computational expense.
An introduction to the theory of the Boltzmann equation
Harris, Stewart
2011-01-01
Boltzmann's equation (or Boltzmann-like equations) appears extensively in such disparate fields as laser scattering, solid-state physics, nuclear transport, and beyond the conventional boundaries of physics and engineering, in the fields of cellular proliferation and automobile traffic flow. This introductory graduate-level course for students of physics and engineering offers detailed presentations of the basic modern theory of Boltzmann's equation, including representative applications using both Boltzmann's equation and the model Boltzmann equations developed within the text. It emphasizes
Zhang, Chuang; Guo, Zhaoli; Chen, Songze
2017-12-01
An implicit kinetic scheme is proposed to solve the stationary phonon Boltzmann transport equation (BTE) for multiscale heat transfer problem. Compared to the conventional discrete ordinate method, the present method employs a macroscopic equation to accelerate the convergence in the diffusive regime. The macroscopic equation can be taken as a moment equation for phonon BTE. The heat flux in the macroscopic equation is evaluated from the nonequilibrium distribution function in the BTE, while the equilibrium state in BTE is determined by the macroscopic equation. These two processes exchange information from different scales, such that the method is applicable to the problems with a wide range of Knudsen numbers. Implicit discretization is implemented to solve both the macroscopic equation and the BTE. In addition, a memory reduction technique, which is originally developed for the stationary kinetic equation, is also extended to phonon BTE. Numerical comparisons show that the present scheme can predict reasonable results both in ballistic and diffusive regimes with high efficiency, while the memory requirement is on the same order as solving the Fourier law of heat conduction. The excellent agreement with benchmark and the rapid converging history prove that the proposed macro-micro coupling is a feasible solution to multiscale heat transfer problems.
Solution of the Boltzmann-Fokker-Planck transport equation using exponential nodal schemes
International Nuclear Information System (INIS)
Ortega J, R.; Valle G, E. del
2003-01-01
There are carried out charge and energy calculations deposited due to the interaction of electrons with a plate of a certain material, solving numerically the electron transport equation for the Boltzmann-Fokker-Planck approach of first order in plate geometry with a computer program denominated TEOD-NodExp (Transport of Electrons in Discreet Ordinates, Nodal Exponentials), using the proposed method by the Dr. J. E. Morel to carry out the discretization of the variable energy and several spatial discretization schemes, denominated exponentials nodal. It is used the Fokker-Planck equation since it represents an approach of the Boltzmann transport equation that is been worth whenever it is predominant the dispersion of small angles, that is to say, resulting dispersion in small dispersion angles and small losses of energy in the transport of charged particles. Such electrons could be those that they face with a braking plate in a device of thermonuclear fusion. In the present work its are considered electrons of 1 MeV that impact isotropically on an aluminum plate. They were considered three different thickness of plate that its were designated as problems 1, 2 and 3. In the calculations it was used the discrete ordinate method S 4 with expansions of the dispersion cross sections until P 3 order. They were considered 25 energy groups of uniform size between the minimum energy of 0.1 MeV and the maximum of 1.0 MeV; the one spatial intervals number it was considered variable and it was assigned the values of 10, 20 and 30. (Author)
Boltzmann equation and Monte Carlo studies of electron transport in resistive plate chambers
International Nuclear Information System (INIS)
Bošnjaković, D; Petrović, Z Lj; Dujko, S; White, R D
2014-01-01
A multi term theory for solving the Boltzmann equation and Monte Carlo simulation technique are used to investigate electron transport in Resistive Plate Chambers (RPCs) that are used for timing and triggering purposes in many high energy physics experiments at CERN and elsewhere. Using cross sections for electron scattering in C 2 H 2 F 4 , iso-C 4 H 10 and SF 6 as an input in our Boltzmann and Monte Carlo codes, we have calculated data for electron transport as a function of reduced electric field E/N in various C 2 H 2 F 4 /iso-C 4 H 10 /SF 6 gas mixtures used in RPCs in the ALICE, CMS and ATLAS experiments. Emphasis is placed upon the explicit and implicit effects of non-conservative collisions (e.g. electron attachment and/or ionization) on the drift and diffusion. Among many interesting and atypical phenomena induced by the explicit effects of non-conservative collisions, we note the existence of negative differential conductivity (NDC) in the bulk drift velocity component with no indication of any NDC for the flux component in the ALICE timing RPC system. We systematically study the origin and mechanisms for such phenomena as well as the possible physical implications which arise from their explicit inclusion into models of RPCs. Spatially-resolved electron transport properties are calculated using a Monte Carlo simulation technique in order to understand these phenomena. (paper)
International Nuclear Information System (INIS)
Tripathy, S.; Tiwari, S.K.; Younus, M.; Sahoo, R.
2017-01-01
One of the major goals in heavy-ion physics is to understand the properties of Quark Gluon Plasma (QGP), a deconfined hot and dense state of quarks and gluons existed shortly after the Big Bang. In the present scenario, the high-energy particle accelerators are able to reach energies where this extremely dense nuclear matter can be probed for a short time. Here, we follow our earlier works which use non-extensive statistics in Boltzmann Transport Equation (BTE). We represent the initial distribution of particles with the help of Tsallis power law distribution parameterized by the nonextensive parameter q and the Tsallis temperature T, remembering the fact that their origin is due to hard scatterings. We use the initial distribution (f in ) with Relaxation Time Approximation (RTA) of the BTE and calculate the final distribution (f fin ). Then we calculate ν 2 of the system using the final distribution in the definition of ν2
Cumulant solution of the elastic Boltzmann transport equation in an infinite uniform medium
International Nuclear Information System (INIS)
Cai, W.; Lax, M.; Alfano, R. R.
2000-01-01
We consider an analytical solution of the time-dependent elastic Boltzmann transport equation in an infinite uniform isotropic medium with an arbitrary phase function. We obtain (1) the exact distribution in angle, (2) the exact first and second spatial cumulants at any angle, and (3) an approximate combined distribution in position and angle and a spatial distribution whose central position and half-width of spread are always exact. The resulting Gaussian distribution has a center that advances in time, and an ellipsoidal contour that grows and changes shape providing a clear picture of the time evolution of the particle migration from near ballistic, through snakelike and into the final diffusive regime. (c) 2000 The American Physical Society
Energy Technology Data Exchange (ETDEWEB)
Ortega J, R.; Valle G, E. del [IPN-ESFM, 07738 Mexico D.F. (Mexico)]. e-mail: roj@correo.azc.uam.mx
2003-07-01
There are carried out charge and energy calculations deposited due to the interaction of electrons with a plate of a certain material, solving numerically the electron transport equation for the Boltzmann-Fokker-Planck approach of first order in plate geometry with a computer program denominated TEOD-NodExp (Transport of Electrons in Discreet Ordinates, Nodal Exponentials), using the proposed method by the Dr. J. E. Morel to carry out the discretization of the variable energy and several spatial discretization schemes, denominated exponentials nodal. It is used the Fokker-Planck equation since it represents an approach of the Boltzmann transport equation that is been worth whenever it is predominant the dispersion of small angles, that is to say, resulting dispersion in small dispersion angles and small losses of energy in the transport of charged particles. Such electrons could be those that they face with a braking plate in a device of thermonuclear fusion. In the present work its are considered electrons of 1 MeV that impact isotropically on an aluminum plate. They were considered three different thickness of plate that its were designated as problems 1, 2 and 3. In the calculations it was used the discrete ordinate method S{sub 4} with expansions of the dispersion cross sections until P{sub 3} order. They were considered 25 energy groups of uniform size between the minimum energy of 0.1 MeV and the maximum of 1.0 MeV; the one spatial intervals number it was considered variable and it was assigned the values of 10, 20 and 30. (Author)
Kinetic Boltzmann, Vlasov and Related Equations
Sinitsyn, Alexander; Vedenyapin, Victor
2011-01-01
Boltzmann and Vlasov equations played a great role in the past and still play an important role in modern natural sciences, technique and even philosophy of science. Classical Boltzmann equation derived in 1872 became a cornerstone for the molecular-kinetic theory, the second law of thermodynamics (increasing entropy) and derivation of the basic hydrodynamic equations. After modifications, the fields and numbers of its applications have increased to include diluted gas, radiation, neutral particles transportation, atmosphere optics and nuclear reactor modelling. Vlasov equation was obtained in
Guo, Yangyu; Wang, Moran
2017-10-01
The single mode relaxation time approximation has been demonstrated to greatly underestimate the lattice thermal conductivity of two-dimensional materials due to the collective effect of phonon normal scattering. Callaway's dual relaxation model represents a good approximation to the otherwise ab initio solution of the phonon Boltzmann equation. In this work we develop a discrete-ordinate-method (DOM) scheme for the numerical solution of the phonon Boltzmann equation under Callaway's model. Heat transport in a graphene ribbon with different geometries is modeled by our scheme, which produces results quite consistent with the available molecular dynamics, Monte Carlo simulations, and experimental measurements. Callaway's lattice thermal conductivity model with empirical boundary scattering rates is examined and shown to overestimate or underestimate the direct DOM solution. The length convergence of the lattice thermal conductivity of a rectangular graphene ribbon is explored and found to depend appreciably on the ribbon width, with a semiquantitative correlation provided between the convergence length and the width. Finally, we predict the existence of a phonon Knudsen minimum in a graphene ribbon only at a low system temperature and isotope concentration so that the average normal scattering rate is two orders of magnitude stronger than the intrinsic resistive one. The present work will promote not only the methodology for the solution of the phonon Boltzmann equation but also the theoretical modeling and experimental detection of hydrodynamic phonon transport in two-dimensional materials.
A high-order Petrov-Galerkin method for the Boltzmann transport equation
International Nuclear Information System (INIS)
Pain, C.C.; Candy, A.S.; Piggott, M.D.; Buchan, A.; Eaton, M.D.; Goddard, A.J.H.; Oliveira, C.R.E. de
2005-01-01
We describe a new Petrov-Galerkin method using high-order terms to introduce dissipation in a residual-free formulation. The method is developed following both a Taylor series analysis and a variational principle, and the result has much in common with traditional Petrov-Galerkin, Self Adjoint Angular Flux (SAAF) and Even Parity forms of the Boltzmann transport equation. In addition, we consider the subtleties in constructing appropriate boundary conditions. In sub-grid scale (SGS) modelling of fluids the advantages of high-order dissipation are well known. Fourth-order terms, for example, are commonly used as a turbulence model with uniform dissipation. They have been shown to have superior properties to SGS models based upon second-order dissipation or viscosity. Even higher-order forms of dissipation (e.g. 16.-order) can offer further advantages, but are only easily realised by spectral methods because of the solution continuity requirements that these higher-order operators demand. Higher-order operators are more effective, bringing a higher degree of representation to the solution locally. Second-order operators, for example, tend to relax the solution to a linear variation locally, whereas a high-order operator will tend to relax the solution to a second-order polynomial locally. The form of the dissipation is also important. For example, the dissipation may only be applied (as it is in this work) in the streamline direction. While for many problems, for example Large Eddy Simulation (LES), simply adding a second or fourth-order dissipation term is a perfectly satisfactory SGS model, it is well known that a consistent residual-free formulation is required for radiation transport problems. This motivated the consideration of a new Petrov-Galerkin method that is residual-free, but also benefits from the advantageous features that SGS modelling introduces. We close with a demonstration of the advantages of this new discretization method over standard Petrov
Carrete, Jesús; Vermeersch, Bjorn; Katre, Ankita; van Roekeghem, Ambroise; Wang, Tao; Madsen, Georg K. H.; Mingo, Natalio
2017-11-01
almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio calculated quantities as inputs. The program can predictively tackle phonon transport in bulk crystals and alloys, thin films, superlattices, and multiscale structures with size features in the nm- μm range. Among many other quantities, the program can output thermal conductances and effective thermal conductivities, space-resolved average temperature profiles, and heat-current distributions resolved in frequency and space. Its first-principles character makes almaBTE especially well suited to investigate novel materials and structures. This article gives an overview of the program structure and presents illustrative examples for some of its uses. PROGRAM SUMMARY Program Title:almaBTE Program Files doi:http://dx.doi.org/10.17632/8tfzwgtp73.1 Licensing provisions: Apache License, version 2.0 Programming language: C++ External routines/libraries: BOOST, MPI, Eigen, HDF5, spglib Nature of problem: Calculation of temperature profiles, thermal flux distributions and effective thermal conductivities in structured systems where heat is carried by phonons Solution method: Solution of linearized phonon Boltzmann transport equation, Variance-reduced Monte Carlo
Konovalov, Dmitry A.; Cocks, Daniel G.; White, Ronald D.
2017-10-01
The velocity distribution function and transport coefficients for charged particles in weakly ionized plasmas are calculated via a multi-term solution of Boltzmann's equation and benchmarked using a Monte-Carlo simulation. A unified framework for the solution of the original full Boltzmann's equation is presented which is valid for ions and electrons, avoiding any recourse to approximate forms of the collision operator in various limiting mass ratio cases. This direct method using Lebedev quadratures over the velocity and scattering angles avoids the need to represent the ion mass dependence in the collision operator through an expansion in terms of the charged particle to neutral mass ratio. For the two-temperature Burnett function method considered in this study, this amounts to avoiding the need for the complex Talmi-transformation methods and associated mass-ratio expansions. More generally, we highlight the deficiencies in the two-temperature Burnett function method for heavy ions at high electric fields to calculate the ion velocity distribution function, even though the transport coefficients have converged. Contribution to the Topical Issue "Physics of Ionized Gases (SPIG 2016)", edited by Goran Poparic, Bratislav Obradovic, Dragana Maric and Aleksandar Milosavljevic.
Global existence proof for relativistic Boltzmann equation
International Nuclear Information System (INIS)
Dudynski, M.; Ekiel-Jezewska, M.L.
1992-01-01
The existence and causality of solutions to the relativistic Boltzmann equation in L 1 and in L loc 1 are proved. The solutions are shown to satisfy physically natural a priori bounds, time-independent in L 1 . The results rely upon new techniques developed for the nonrelativistic Boltzmann equation by DiPerna and Lions
St Aubin, J; Keyvanloo, A; Vassiliev, O; Fallone, B G
2015-02-01
Accurate radiotherapy dose calculation algorithms are essential to any successful radiotherapy program, considering the high level of dose conformity and modulation in many of today's treatment plans. As technology continues to progress, such as is the case with novel MRI-guided radiotherapy systems, the necessity for dose calculation algorithms to accurately predict delivered dose in increasingly challenging scenarios is vital. To this end, a novel deterministic solution has been developed to the first order linear Boltzmann transport equation which accurately calculates x-ray based radiotherapy doses in the presence of magnetic fields. The deterministic formalism discussed here with the inclusion of magnetic fields is outlined mathematically using a discrete ordinates angular discretization in an attempt to leverage existing deterministic codes. It is compared against the EGSnrc Monte Carlo code, utilizing the emf_macros addition which calculates the effects of electromagnetic fields. This comparison is performed in an inhomogeneous phantom that was designed to present a challenging calculation for deterministic calculations in 0, 0.6, and 3 T magnetic fields oriented parallel and perpendicular to the radiation beam. The accuracy of the formalism discussed here against Monte Carlo was evaluated with a gamma comparison using a standard 2%/2 mm and a more stringent 1%/1 mm criterion for a standard reference 10 × 10 cm(2) field as well as a smaller 2 × 2 cm(2) field. Greater than 99.8% (94.8%) of all points analyzed passed a 2%/2 mm (1%/1 mm) gamma criterion for all magnetic field strengths and orientations investigated. All dosimetric changes resulting from the inclusion of magnetic fields were accurately calculated using the deterministic formalism. However, despite the algorithm's high degree of accuracy, it is noticed that this formalism was not unconditionally stable using a discrete ordinate angular discretization. The feasibility of including magnetic field
The Acoustic Limit for the Boltzmann Equation
Bardos, Claude; Golse, François; Levermore, C. David
The acoustic equations are the linearization of the compressible Euler equations about a spatially homogeneous fluid state. We first derive them directly from the Boltzmann equation as the formal limit of moment equations for an appropriately scaled family of Boltzmann solutions. We then establish this limit for the Boltzmann equation considered over a periodic spatial domain for bounded collision kernels. Appropriately scaled families of DiPerna-Lions renormalized solutions are shown to have fluctuations that converge entropically (and hence strongly in L1) to a unique limit governed by a solution of the acoustic equations for all time, provided that its initial fluctuations converge entropically to an appropriate limit associated to any given L2 initial data of the acoustic equations. The associated local conservation laws are recovered in the limit.
Singularities in the nonisotropic Boltzmann equation
International Nuclear Information System (INIS)
Garibotti, C.R.; Martiarena, M.L.; Zanette, D.
1987-09-01
We consider solutions of the nonlinear Boltzmann equation (NLBE) with anisotropic singular initial conditions, which give a simplified model for the penetration of a monochromatic beam on a rarified target. The NLBE is transformed into an integral equation which is solved iteratively and the evolution of the initial singularities is discussed. (author). 5 refs
The Boltzmann equation in the difference formulation
Energy Technology Data Exchange (ETDEWEB)
Szoke, Abraham [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Brooks III, Eugene D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2015-05-06
First we recall the assumptions that are needed for the validity of the Boltzmann equation and for the validity of the compressible Euler equations. We then present the difference formulation of these equations and make a connection with the time-honored Chapman - Enskog expansion. We discuss the hydrodynamic limit and calculate the thermal conductivity of a monatomic gas, using a simplified approximation for the collision term. Our formulation is more consistent and simpler than the traditional derivation.
Energy Technology Data Exchange (ETDEWEB)
St Aubin, J., E-mail: joel.st.aubin@albertahealthservices.ca [Department of Medical Physics, Cross Cancer Institute, 11560 University Avenue, Edmonton, Alberta T6G 1Z2, Canada and Department of Oncology, Medical Physics Division, University of Alberta, 11560 University Avenue, Edmonton, Alberta T6G 1Z2 (Canada); Keyvanloo, A. [Department of Medical Physics, Cross Cancer Institute, 11560 University Avenue, Edmonton, Alberta T6G 1Z2 (Canada); Fallone, B. G. [Department of Medical Physics, Cross Cancer Institute, 11560 University Avenue, Edmonton, Alberta T6G 1Z2 (Canada); Department of Oncology, Medical Physics Division, University of Alberta, 11560 University Avenue, Edmonton, Alberta T6G 1Z2 (Canada); Department of Physics, University of Alberta, Edmonton, Alberta T6G 2M9 (Canada)
2016-01-15
Purpose: The advent of magnetic resonance imaging (MRI) guided radiotherapy systems demands the incorporation of the magnetic field into dose calculation algorithms of treatment planning systems. This is due to the fact that the Lorentz force of the magnetic field perturbs the path of the relativistic electrons, hence altering the dose deposited by them. Building on the previous work, the authors have developed a discontinuous finite element space-angle treatment of the linear Boltzmann transport equation to accurately account for the effects of magnetic fields on radiotherapy doses. Methods: The authors present a detailed description of their new formalism and compare its accuracy to GEANT4 Monte Carlo calculations for magnetic fields parallel and perpendicular to the radiation beam at field strengths of 0.5 and 3 T for an inhomogeneous 3D slab geometry phantom comprising water, bone, and air or lung. The accuracy of the authors’ new formalism was determined using a gamma analysis with a 2%/2 mm criterion. Results: Greater than 98.9% of all points analyzed passed the 2%/2 mm gamma criterion for the field strengths and orientations tested. The authors have benchmarked their new formalism against Monte Carlo in a challenging radiation transport problem with a high density material (bone) directly adjacent to a very low density material (dry air at STP) where the effects of the magnetic field dominate collisions. Conclusions: A discontinuous finite element space-angle approach has been proven to be an accurate method for solving the linear Boltzmann transport equation with magnetic fields for cases relevant to MRI guided radiotherapy. The authors have validated the accuracy of this novel technique against GEANT4, even in cases of strong magnetic field strengths and low density air.
Metamaterial characterization using Boltzmann's kinetic equation for electrons
DEFF Research Database (Denmark)
Novitsky, Andrey; Zhukovsky, Sergei; Novitsky, D.
2013-01-01
Statistical properties of electrons in metals are taken into consideration to describe the microscopic motion of electrons. Assuming degenerate electron gas in metal, we introduce the Boltzmann kinetic equation to supplement Maxwell's equations. The solution of these equations clearly shows...
Lattice Boltzmann method for the fractional advection-diffusion equation
Zhou, J. G.; Haygarth, P. M.; Withers, P. J. A.; Macleod, C. J. A.; Falloon, P. D.; Beven, K. J.; Ockenden, M. C.; Forber, K. J.; Hollaway, M. J.; Evans, R.; Collins, A. L.; Hiscock, K. M.; Wearing, C.; Kahana, R.; Villamizar Velez, M. L.
2016-04-01
Mass transport, such as movement of phosphorus in soils and solutes in rivers, is a natural phenomenon and its study plays an important role in science and engineering. It is found that there are numerous practical diffusion phenomena that do not obey the classical advection-diffusion equation (ADE). Such diffusion is called abnormal or superdiffusion, and it is well described using a fractional advection-diffusion equation (FADE). The FADE finds a wide range of applications in various areas with great potential for studying complex mass transport in real hydrological systems. However, solution to the FADE is difficult, and the existing numerical methods are complicated and inefficient. In this study, a fresh lattice Boltzmann method is developed for solving the fractional advection-diffusion equation (LabFADE). The FADE is transformed into an equation similar to an advection-diffusion equation and solved using the lattice Boltzmann method. The LabFADE has all the advantages of the conventional lattice Boltzmann method and avoids a complex solution procedure, unlike other existing numerical methods. The method has been validated through simulations of several benchmark tests: a point-source diffusion, a boundary-value problem of steady diffusion, and an initial-boundary-value problem of unsteady diffusion with the coexistence of source and sink terms. In addition, by including the effects of the skewness β , the fractional order α , and the single relaxation time τ , the accuracy and convergence of the method have been assessed. The numerical predictions are compared with the analytical solutions, and they indicate that the method is second-order accurate. The method presented will allow the FADE to be more widely applied to complex mass transport problems in science and engineering.
Ness, K. F.; Robson, R. E.; Brunger, M. J.; White, R. D.
2012-01-01
This paper revisits the issues surrounding computation of electron transport properties in water vapour as a function of E/n0 (the ratio of the applied electric field to the water vapour number density) up to 1200 Td. We solve the Boltzmann equation using an improved version of the code of Ness and Robson [Phys. Rev. A 38, 1446 (1988)], facilitating the calculation of transport coefficients to a considerably higher degree of accuracy. This allows a correspondingly more discriminating test of the various electron-water vapour cross section sets proposed by a number of authors, which has become an important issue as such sets are now being applied to study electron driven processes in atmospheric phenomena [P. Thorn, L. Campbell, and M. Brunger, PMC Physics B 2, 1 (2009)] and in modeling charged particle tracks in matter [A. Munoz, F. Blanco, G. Garcia, P. A. Thorn, M. J. Brunger, J. P. Sullivan, and S. J. Buckman, Int. J. Mass Spectrom. 277, 175 (2008)].
Soluble Boltzmann equations for internal state and Maxwell models
Futcher, E.; Hoare, M.R.; Hendriks, E.M.; Ernst, M.H.
We consider a class of scalar nonlinear Boltzmann equations describing the evolution of a microcanonical ensemble in which sub-systems exchange internal energy ‘randomly’ in binary interactions. In the continuous variable version these models can equally be interpreted as Boltzmann equations for
Supersymmetric electroweak baryogenesis, nonequilibrium field theory and quantum Boltzmann equations
Riotto, Antonio
1998-01-01
The closed time-path (CPT) formalism is a powerful Green's function formulation to describe nonequilibrium phenomena in field theory and it leads to a complete nonequilibrium quantum kinetic theory. In this paper we make use of the CPT formalism to write down a set of quantum Boltzmann equations describing the local number density asymmetries of the particles involved in supersymmetric electroweak baryogenesis. These diffusion equations automatically and self-consistently incorporate the CP-violating sources which fuel baryogenesis when transport properties allow the CP-violating charges to diffuse in front of the bubble wall separating the broken from the unbroken phase at the electroweak phase transition. This is a significant improvement with respect to recent approaches where the CP-violating sources are inserted by hand into the diffusion equations. Furthermore, the CP-violating sources and the particle number changing interactions manifest ``memory'' effects which are typical of the quantum transp ort t...
Exact results for the Boltzmann equation and Smoluchowski's coagulation equation
International Nuclear Information System (INIS)
Hendriks, E.M.
1983-01-01
Almost no analytical solutions have been found for realistic intermolecular forces, largely due to the complicated structure of the collision term which calls for the construction of simplified models, in which as many physical properties are maintained as possible. In the first three chapters of this thesis such model Boltzmann equations are studied. Only spatially homogeneous gases with isotropic distribution functions are considered. Chapter I considers transition kernels, chapter II persistent scattering models and chapter III very hard particles. The second part of this dissertation deals with Smoluchowski's coagulation equation for the size distribution function in a coagulating system, with chapters devoted to the following topics: kinetics of gelation and universality, coagulation equations with gelation and exactly soluble models of nucleation. (Auth./C.F.)
Boltzmann equations for a binary one-dimensional ideal gas.
Boozer, A D
2011-09-01
We consider a time-reversal invariant dynamical model of a binary ideal gas of N molecules in one spatial dimension. By making time-asymmetric assumptions about the behavior of the gas, we derive Boltzmann and anti-Boltzmann equations that describe the evolution of the single-molecule velocity distribution functions for an ensemble of such systems. We show that for a special class of initial states of the ensemble one can obtain an exact expression for the N-molecule velocity distribution function, and we use this expression to rigorously prove that the time-asymmetric assumptions needed to derive the Boltzmann and anti-Boltzmann equations hold in the limit of large N. Our results clarify some subtle issues regarding the origin of the time asymmetry of Boltzmann's H theorem.
Energy Technology Data Exchange (ETDEWEB)
Uchaikin, V V; Sibatov, R T, E-mail: vuchaikin@gmail.com, E-mail: ren_sib@bk.ru [Ulyanovsk State University, 432000, 42 Leo Tolstoy str., Ulyanovsk (Russian Federation)
2011-04-08
The fractional Boltzmann equation for resonance radiation transport in plasma is proposed. We start with the standard Boltzmann equation; averaging over photon frequencies leads to the appearance of a fractional derivative. This fact is in accordance with the conception of latent variables leading to hereditary and non-local dynamics (in particular, fractional dynamics). The presence of a fractional material derivative in the equation is concordant with heavy tailed distribution of photon path lengths and with spatiotemporal coupling peculiar to the process. We discuss some methods of solving the obtained equation and demonstrate numerical results in some simple cases.
International Nuclear Information System (INIS)
Uchaikin, V V; Sibatov, R T
2011-01-01
The fractional Boltzmann equation for resonance radiation transport in plasma is proposed. We start with the standard Boltzmann equation; averaging over photon frequencies leads to the appearance of a fractional derivative. This fact is in accordance with the conception of latent variables leading to hereditary and non-local dynamics (in particular, fractional dynamics). The presence of a fractional material derivative in the equation is concordant with heavy tailed distribution of photon path lengths and with spatiotemporal coupling peculiar to the process. We discuss some methods of solving the obtained equation and demonstrate numerical results in some simple cases.
Analysis of spectral methods for the homogeneous Boltzmann equation
Filbet, Francis
2011-04-01
The development of accurate and fast algorithms for the Boltzmann collision integral and their analysis represent a challenging problem in scientific computing and numerical analysis. Recently, several works were devoted to the derivation of spectrally accurate schemes for the Boltzmann equation, but very few of them were concerned with the stability analysis of the method. In particular there was no result of stability except when the method was modified in order to enforce the positivity preservation, which destroys the spectral accuracy. In this paper we propose a new method to study the stability of homogeneous Boltzmann equations perturbed by smoothed balanced operators which do not preserve positivity of the distribution. This method takes advantage of the "spreading" property of the collision, together with estimates on regularity and entropy production. As an application we prove stability and convergence of spectral methods for the Boltzmann equation, when the discretization parameter is large enough (with explicit bound). © 2010 American Mathematical Society.
Celebrating Cercignani's conjecture for the Boltzmann equation
Villani, Cédric
2011-01-01
Cercignani\\'s conjecture assumes a linear inequality between the entropy and entropy production functionals for Boltzmann\\'s nonlinear integral operator in rarefied gas dynamics. Related to the field of logarithmic Sobolev inequalities and spectral gap inequalities, this issue has been at the core of the renewal of the mathematical theory of convergence to thermodynamical equilibrium for rarefied gases over the past decade. In this review paper, we survey the various positive and negative results which were obtained since the conjecture was proposed in the 1980s. © American Institute of Mathematical Sciences.
New Monte Carlo approach to the adjoint Boltzmann equation
International Nuclear Information System (INIS)
De Matteis, A.; Simonini, R.
1978-01-01
A class of stochastic models for the Monte Carlo integration of the adjoint neutron transport equation is described. Some current general methods are brought within this class, thus preparing the ground for subsequent comparisons. Monte Carlo integration of the adjoint Boltzmann equation can be seen as a simulation of the transport of mathematical particles with reaction kernels not normalized to unity. This last feature is a source of difficulty: It can influence the variance of the result negatively and also often leads to preparation of special ''libraries'' consisting of tables of normalization factors as functions of energy, presently used by several methods. These are the two main points that are discussed and that are taken into account to devise a nonmultigroup method of solution for a certain class of problems. Reactions considered in detail are radiative capture, elastic scattering, discrete levels and continuum inelastic scattering, for which the need for tables has been almost completely eliminated. The basic policy pursued to avoid a source of statistical fluctuations is to try to make the statistical weight of the traveling particle dependent only on its starting and current energies, at least in simple cases. The effectiveness of the sampling schemes proposed is supported by numerical comparison with other more general adjoint Monte Carlo methods. Computation of neutron flux at a point by means of an adjoint formulation is the problem taken as a test for numerical experiments. Very good results have been obtained in the difficult case of resonant cross sections
A fast iterative scheme for the linearized Boltzmann equation
Wu, Lei; Zhang, Jun; Liu, Haihu; Zhang, Yonghao; Reese, Jason M.
2017-06-01
Iterative schemes to find steady-state solutions to the Boltzmann equation are efficient for highly rarefied gas flows, but can be very slow to converge in the near-continuum flow regime. In this paper, a synthetic iterative scheme is developed to speed up the solution of the linearized Boltzmann equation by penalizing the collision operator L into the form L = (L + Nδh) - Nδh, where δ is the gas rarefaction parameter, h is the velocity distribution function, and N is a tuning parameter controlling the convergence rate. The velocity distribution function is first solved by the conventional iterative scheme, then it is corrected such that the macroscopic flow velocity is governed by a diffusion-type equation that is asymptotic-preserving into the Navier-Stokes limit. The efficiency of this new scheme is assessed by calculating the eigenvalue of the iteration, as well as solving for Poiseuille and thermal transpiration flows. We find that the fastest convergence of our synthetic scheme for the linearized Boltzmann equation is achieved when Nδ is close to the average collision frequency. The synthetic iterative scheme is significantly faster than the conventional iterative scheme in both the transition and the near-continuum gas flow regimes. Moreover, due to its asymptotic-preserving properties, the synthetic iterative scheme does not need high spatial resolution in the near-continuum flow regime, which makes it even faster than the conventional iterative scheme. Using this synthetic scheme, with the fast spectral approximation of the linearized Boltzmann collision operator, Poiseuille and thermal transpiration flows between two parallel plates, through channels of circular/rectangular cross sections and various porous media are calculated over the whole range of gas rarefaction. Finally, the flow of a Ne-Ar gas mixture is solved based on the linearized Boltzmann equation with the Lennard-Jones intermolecular potential for the first time, and the difference
Comment on ''Boltzmann equation and the conservation of particle number''
International Nuclear Information System (INIS)
Zanette, D.
1990-09-01
In a recent paper (Z. Banggu, Phys. Rev. A 42, 761 (1990)) it is argued that some solutions of the Boltzmann equation do not satisfy particle conservation as a consequence of the independence of velocity on position. In this comment, the arguments and conclusions of that paper are discussed. In particular, it is stressed that the temporal series used for solving the kinetic equation are generally divergent. A discussion about the particle conservation in its solutions is also provided. (author). 4 refs
From Boltzmann equations to steady wall velocities
International Nuclear Information System (INIS)
Konstandin, Thomas; Rues, Ingo; Nardini, Germano; California Univ., Santa Barbara, CA
2014-07-01
By means of a relativistic microscopic approach we calculate the expansion velocity of bubbles generated during a first-order electroweak phase transition. In particular, we use the gradient expansion of the Kadanoff-Baym equations to set up the fluid system. This turns out to be equivalent to the one found in the semi-classical approach in the non-relativistic limit. Finally, by including hydrodynamic deflagration effects and solving the Higgs equations of motion in the fluid, we determine velocity and thickness of the bubble walls. Our findings are compared with phenomenological models of wall velocities. As illustrative examples, we apply these results to three theories providing first-order phase transitions with a particle content in the thermal plasma that resembles the Standard Model.
Boltzmann equation and hydrodynamics beyond Navier-Stokes.
Bobylev, A V
2018-04-28
We consider in this paper the problem of derivation and regularization of higher (in Knudsen number) equations of hydrodynamics. The author's approach based on successive changes of hydrodynamic variables is presented in more detail for the Burnett level. The complete theory is briefly discussed for the linearized Boltzmann equation. It is shown that the best results in this case can be obtained by using the 'diagonal' equations of hydrodynamics. Rigorous estimates of accuracy of the Navier-Stokes and Burnett approximations are also presented.This article is part of the theme issue 'Hilbert's sixth problem'. © 2018 The Author(s).
From Conformal Invariance towards Dynamical Symmetries of the Collisionless Boltzmann Equation
Directory of Open Access Journals (Sweden)
Stoimen Stoimenov
2015-09-01
Full Text Available Dynamical symmetries of the collisionless Boltzmann transport equation, or Vlasov equation, but under the influence of an external driving force, are derived from non-standard representations of the 2D conformal algebra. In the case without external forces, the symmetry of the conformally-invariant transport equation is first generalized by considering the particle momentum as an independent variable. This new conformal representation can be further extended to include an external force. The construction and possible physical applications are outlined.
International Nuclear Information System (INIS)
Nakhai, B.
1979-01-01
A new method for solving radiation transport problems is presented. The heart of the technique is a new cross section processing procedure for the calculation of group-to-point and point-to-group cross sections sets. The method is ideally suited for problems which involve media with highly fluctuating cross sections, where the results of the traditional multigroup calculations are beclouded by the group averaging procedures employed. Extensive computational efforts, which would be required to evaluate double integrals in the multigroup treatment numerically, prohibit iteration to optimize the energy boundaries. On the other hand, use of point-to-point techniques (as in the stochastic technique) is often prohibitively expensive due to the large computer storage requirement. The pseudo-point code is a hybrid of the two aforementioned methods (group-to-group and point-to-point) - hence the name pseudo-point - that reduces the computational efforts of the former and the large core requirements of the latter. The pseudo-point code generates the group-to-point or the point-to-group transfer matrices, and can be coupled with the existing transport codes to calculate pointwise energy-dependent fluxes. This approach yields much more detail than is available from the conventional energy-group treatments. Due to the speed of this code, several iterations could be performed (in affordable computing efforts) to optimize the energy boundaries and the weighting functions. The pseudo-point technique is demonstrated by solving six problems, each depicting a certain aspect of the technique. The results are presented as flux vs energy at various spatial intervals. The sensitivity of the technique to the energy grid and the savings in computational effort are clearly demonstrated
Tripathy, Sushanta; Kumar Tiwari, Swatantra; Younus, Mohammed; Sahoo, Raghunath
2018-03-01
Elliptic flow in heavy-ion collisions is an important signature of a possible de-confinement transition from hadronic phase to partonic phase. In the present work, we use non-extensive statistics, which has been used for transverse momentum (pT) distribution in proton+proton ( p+p) collisions, as the initial particle distribution function in Boltzmann Transport Equation (BTE). A Boltzmann-Gibbs Blast Wave (BGBW) function is taken as an equilibrium function to get the final distribution to describe the particle production in heavy-ion collisions. In this formalism, we try to estimate the elliptic flow in Pb+Pb collisions at √{s_{NN}} = 2.76 TeV at the LHC for different centralities. The elliptic flow ( v2) of identified particles seems to be described quite well in the available pT range. An approach which combines the non-extensive nature of particle production in p+p collisions through an evolution in kinetic theory using BTE, with BGBW as an equilibrium distribution is successful in describing the spectra and elliptic flow in heavy-ion collisions.
Energy Technology Data Exchange (ETDEWEB)
Tripathy, Sushanta; Khuntia, Arvind; Tiwari, Swatantra Kumar; Sahoo, Raghunath [Indian Institute of Technology Indore, Discipline of Physics, School of Basic Sciences, Indore (India)
2017-05-15
In the continuation of our previous work, the transverse-momentum (p{sub T}) spectra and nuclear modification factor (R{sub AA}) are derived using the relaxation time approximation of Boltzmann Transport Equation (BTE). The initial p{sub T}-distribution used to describe p + p collisions has been studied with the perturbative-Quantum Chromodynamics (pQCD) inspired power-law distribution, Hagedorn's empirical formula and with the Tsallis non-extensive statistical distribution. The non-extensive Tsallis distribution is observed to describe the complete range of the transverse-momentum spectra. The Boltzmann-Gibbs Blast Wave (BGBW) distribution is used as the equilibrium distribution in the present formalism, to describe the p{sub T}-distribution and nuclear modification factor in nucleus-nucleus collisions. The experimental data for Pb+Pb collisions at √(s{sub NN}) = 2.76 TeV at the Large Hadron Collider at CERN have been analyzed for pions, kaons, protons, K{sup *0} and φ. It is observed that the present formalism while explaining the transverse-momentum spectra up to 5 GeV/c, explains the nuclear modification factor very well up to 8 GeV/c in p{sub T} for all these particles except for protons. R{sub AA} is found to be independent of the degree of non-extensivity, q{sub pp} after p{sub T} ∝ 8 GeV/c. (orig.)
Non-linear effects in the Boltzmann equation
International Nuclear Information System (INIS)
Barrachina, R.O.
1985-01-01
The Boltzmann equation is studied by defining an integral transformation of the energy distribution function for an isotropic and homogeneous gas. This transformation may be interpreted as a linear superposition of equilibrium states with variable temperatures. It is shown that the temporal evolution features of the distribution function are determined by the singularities of said transformation. This method is applied to Maxwell and Very Hard Particle interaction models. For the latter, the solution of the Boltzmann equation with the solution of its linearized version is compared, finding out many basic discrepancies and non-linear effects. This gives a hint to propose a new rational approximation method with a clear physical meaning. Applying this technique, the relaxation features of the BKW (Bobylev, Krook anf Wu) mode is analyzed, finding a conclusive counter-example for the Krook and Wu conjecture. The anisotropic Boltzmann equation for Maxwell models is solved as an expansion in terms of the eigenfunctions of the corresponding linearized collision operator, finding interesting transient overpopulation and underpopulation effects at thermal energies as well as a new preferential spreading effect. By analyzing the initial collision, a criterion is established to deduce the general features of the final approach to equilibrium. Finally, it is shown how to improve the convergence of the eigenfunction expansion for high energy underpopulated distribution functions. As an application of this theory, the linear cascade model for sputtering is analyzed, thus finding out that many differences experimentally observed are due to non-linear effects. (M.E.L.) [es
Finite Element Based Formulation of Lattice Boltzmann Equation
International Nuclear Information System (INIS)
Jo, Jong Chull; Roh, Kyung Wan; Kwon, Young W.; Kwon, Young W.
2008-01-01
The Lattice Boltzmann Method (LBM) has been developed for application to thermal-fluid problems. Recently, the technique was also applied to fluid-structure interaction problems. Most of those studies considered a regular shape of lattice or mesh like square and cubic grids. In order to apply the LBM to more practical cases, it is necessary to be able to solve complex or irregular shapes of problem domains. There have been different kinds of approaches to address the problems. The most common technique was using the finite volume formulation of the lattice Boltzmann equation. Another approach was a point-wise interpolation technique for irregular grids. Other techniques were based on the finite element method. Generally, the finite element method is very powerful for solving two or three-dimensional complex or irregular shapes of domains using the isoparametric element formulation which is based on a mathematical mapping from a regular shape of element in an imaginary domain to a more general and irregular shape of element in the physical domain. In addition, there are variety of choices of finite elements such as triangular or quadrilateral shapes in 2-D, or tetrahedral, triangular prism, or general six-sided solids in 3-D. As a result, the present study presents a new finite element formulation for the lattice Boltzmann equation using the general weighted residual technique. Among the weighted residual formulations, the collocation method, Galerkin method or method of moments are used to develop the finite element based LBM
The Fluid Dynamical Limits of the Linearized Boltzmann Equation.
Campini, Marco
The old question concerning the mathematical formulation of the fluid dynamic limits of kinetic theory is examined by studying the solution of the Cauchy problem for two differently scaled linearized Boltzmann equations on periodic domain as the mean free path of the particles becomes small. Under minimal assumptions on the initial data, by using an a priori estimate, it is possible, in a Hilbert space functional frame, to prove the weak convergence of solutions toward a function that has the form of an infinitesimal maxwellian in the velocity variable. The velocity moments of this function are then proved to satisfy either the linearized Euler or the Stokes system of equations (depending on the chosen scaling), by passing to the limit in the conservation relations derived from the Boltzmann equation. A theorem injecting continuously the intersection of certain weak spaces into a normed one is proved. Together with properties of the Euler semigroup, this allows to show strong convergence of the first three moments of the distribution function toward the macroscopic quantities density, bulk velocity and temperature, solutions of the linearized Euler system. The Stokes case is treated somewhat differently, through the introduction of a result, proved by using the adjoint formulation for linear kinetic equations, that extends the averaging theory of Golse-Lions-Perthame-Sentis. The desired convergence for the divergence-free component of the second moment toward the macroscopic velocity is then shown.
A modified Poisson-Boltzmann equation applied to protein adsorption.
Gama, Marlon de Souza; Santos, Mirella Simões; Lima, Eduardo Rocha de Almeida; Tavares, Frederico Wanderley; Barreto, Amaro Gomes Barreto
2018-01-05
Ion-exchange chromatography has been widely used as a standard process in purification and analysis of protein, based on the electrostatic interaction between the protein and the stationary phase. Through the years, several approaches are used to improve the thermodynamic description of colloidal particle-surface interaction systems, however there are still a lot of gaps specifically when describing the behavior of protein adsorption. Here, we present an improved methodology for predicting the adsorption equilibrium constant by solving the modified Poisson-Boltzmann (PB) equation in bispherical coordinates. By including dispersion interactions between ions and protein, and between ions and surface, the modified PB equation used can describe the Hofmeister effects. We solve the modified Poisson-Boltzmann equation to calculate the protein-surface potential of mean force, treated as spherical colloid-plate system, as a function of process variables. From the potential of mean force, the Henry constants of adsorption, for different proteins and surfaces, are calculated as a function of pH, salt concentration, salt type, and temperature. The obtained Henry constants are compared with experimental data for several isotherms showing excellent agreement. We have also performed a sensitivity analysis to verify the behavior of different kind of salts and the Hofmeister effects. Copyright © 2017 Elsevier B.V. All rights reserved.
A new lattice Boltzmann equation to simulate density-driven convection of carbon dioxide
Allen, Rebecca
2013-01-01
The storage of CO2 in fluid-filled geological formations has been carried out for more than a decade in locations around the world. After CO2 has been injected into the aquifer and has moved laterally under the aquifer\\'s cap-rock, density-driven convection becomes an important transport process to model. However, the challenge lies in simulating this transport process accurately with high spatial resolution and low CPU cost. This issue can be addressed by using the lattice Boltzmann equation (LBE) to formulate a model for a similar scenario when a solute diffuses into a fluid and density differences lead to convective mixing. The LBE is a promising alternative to the traditional methods of computational fluid dynamics. Rather than discretizing the system of partial differential equations of classical continuum mechanics directly, the LBE is derived from a velocity-space truncation of the Boltzmann equation of classical kinetic theory. We propose an extension to the LBE, which can accurately predict the transport of dissolved CO2 in water, as a step towards fluid-filled porous media simulations. This is achieved by coupling two LBEs, one for the fluid flow and one for the convection and diffusion of CO2. Unlike existing lattice Boltzmann equations for porous media flow, our model is derived from a system of moment equations and a Crank-Nicolson discretization of the velocity-truncated Boltzmann equation. The forcing terms are updated locally without the need for additional central difference approximation. Therefore our model preserves all the computational advantages of the single-phase lattice Boltzmann equation and is formally second-order accurate in both space and time. Our new model also features a novel implementation of boundary conditions, which is simple to implement and does not suffer from the grid-dependent error that is present in the standard "bounce-back" condition. The significance of using the LBE in this work lies in the ability to efficiently
A Boltzmann Transport Simulation Using Open Source Physics
Hasbun, Javier
2004-03-01
The speed of a charged particle, under an applied electric field, in a conducting media, is, usually, simply modelled by writing Newton's 2nd law in the form mfrac ddtv=qE-mfrac vτ ; (1), where v is the speed, E is the applied electric field, q is the charge, m is the mass, and τ is the scattering time between collisions. Here, we simulate a numerical solution of the Boltzmann transport equation,frac partial partial tf+ vot nabla _rf+Fot nabla _pf=frac partial partial tf|_coll (2), where in general the Boltzmann distribution function f=f(r,p,t) depends on position, momentum, and time. Our numerical solution is made possible by neglecting the 2nd term on the LHS, and by modelling the RHS collision term as fracpartial partial tf|_coll=-frac 1τ . With these approximations, in addition to considering only one dimension, we find, our numerical solution of (2). The average velocity numerically obtained through the resulting distribution is compared to that obtained by the analytic solution of (1). An efficient method of carrying out the numerical solution of (2) due to P. Drallos and M. Wadehra [Journal of Applied Physics 63, 5601(1988)] is incorporated here. A final version of an applet that performs the full Java simulation will be located at http://www.westga.edu/ jhasbun/osp/osp.htm.
Energy Technology Data Exchange (ETDEWEB)
Zabadal, Jorge; Borges, Volnei; Van der Laan, Flavio T., E-mail: jorge.zabadal@ufrgs.br, E-mail: borges@ufrgs.br, E-mail: ftvdl@ufrgs.br [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Departamento de Engenharia Mecanica. Grupo de Pesquisas Radiologicas; Ribeiro, Vinicius G., E-mail: vinicius_ribeiro@uniritter.edu.br [Centro Universitario Ritter dos Reis (UNIRITTER), Porto Alegre, RS (Brazil); Santos, Marcio G., E-mail: phd.marcio@gmail.com [Universidade Federal do Rio Grande do Sul (UFRGS), Tramandai, RS (Brazil). Departamento Interdisciplinar do Campus Litoral Norte
2015-07-01
This work presents a new analytical method for solving the Boltzmann equation. In this formulation, a linear differential operator is applied over the Boltzmann model, in order to produce a partial differential equation in which the scattering term is absent. This auxiliary equation is solved via reduction of order. The exact solution obtained is employed to define a precursor for the buildup factor. (author)
A lattice Boltzmann model for solute transport in open channel flow
Wang, Hongda; Cater, John; Liu, Haifei; Ding, Xiangyi; Huang, Wei
2018-01-01
A lattice Boltzmann model of advection-dispersion problems in one-dimensional (1D) open channel flows is developed for simulation of solute transport and pollutant concentration. The hydrodynamics are calculated based on a previous lattice Boltzmann approach to solving the 1D Saint-Venant equations (LABSVE). The advection-dispersion model is coupled with the LABSVE using the lattice Boltzmann method. Our research recovers the advection-dispersion equations through the Chapman-Enskog expansion of the lattice Boltzmann equation. The model differs from the existing schemes in two points: (1) the lattice Boltzmann numerical method is adopted to solve the advection-dispersion problem by meso-scopic particle distribution; (2) and the model describes the relation between discharge, cross section area and solute concentration, which increases the applicability of the water quality model in practical engineering. The model is verified using three benchmark tests: (1) instantaneous solute transport within a short distance; (2) 1D point source pollution with constant velocity; (3) 1D point source pollution in a dam break flow. The model is then applied to a 50-year flood point source pollution accident on the Yongding River, which showed good agreement with a MIKE 11 solution and gauging data.
Corner-transport-upwind lattice Boltzmann model for bubble cavitation
Sofonea, V.; Biciuşcǎ, T.; Busuioc, S.; Ambruş, Victor E.; Gonnella, G.; Lamura, A.
2018-02-01
Aiming to study the bubble cavitation problem in quiescent and sheared liquids, a third-order isothermal lattice Boltzmann model that describes a two-dimensional (2D) fluid obeying the van der Waals equation of state, is introduced. The evolution equations for the distribution functions in this off-lattice model with 16 velocities are solved using the corner-transport-upwind (CTU) numerical scheme on large square lattices (up to 6144 ×6144 nodes). The numerical viscosity and the regularization of the model are discussed for first- and second-order CTU schemes finding that the latter choice allows to obtain a very accurate phase diagram of a nonideal fluid. In a quiescent liquid, the present model allows us to recover the solution of the 2D Rayleigh-Plesset equation for a growing vapor bubble. In a sheared liquid, we investigated the evolution of the total bubble area, the bubble deformation, and the bubble tilt angle, for various values of the shear rate. A linear relation between the dimensionless deformation coefficient D and the capillary number Ca is found at small Ca but with a different factor than in equilibrium liquids. A nonlinear regime is observed for Ca≳0.2 .
Diffusion equation and spin drag in spin-polarized transport
DEFF Research Database (Denmark)
Flensberg, Karsten; Jensen, Thomas Stibius; Mortensen, Asger
2001-01-01
We study the role of electron-electron interactions for spin-polarized transport using the Boltzmann equation, and derive a set of coupled transport equations. For spin-polarized transport the electron-electron interactions are important, because they tend to equilibrate the momentum of the two-s...
Neutron transport equation - indications on homogenization and neutron diffusion
International Nuclear Information System (INIS)
Argaud, J.P.
1992-06-01
In PWR nuclear reactor, the practical study of the neutrons in the core uses diffusion equation to describe the problem. On the other hand, the most correct method to describe these neutrons is to use the Boltzmann equation, or neutron transport equation. In this paper, we give some theoretical indications to obtain a diffusion equation from the general transport equation, with some simplifying hypothesis. The work is organised as follows: (a) the most general formulations of the transport equation are presented: integro-differential equation and integral equation; (b) the theoretical approximation of this Boltzmann equation by a diffusion equation is introduced, by the way of asymptotic developments; (c) practical homogenization methods of transport equation is then presented. In particular, the relationships with some general and useful methods in neutronic are shown, and some homogenization methods in energy and space are indicated. A lot of other points of view or complements are detailed in the text or the remarks
An efficient numerical method for solving the Boltzmann equation in multidimensions
Dimarco, Giacomo; Loubère, Raphaël; Narski, Jacek; Rey, Thomas
2018-01-01
In this paper we deal with the extension of the Fast Kinetic Scheme (FKS) (Dimarco and Loubère, 2013 [26]) originally constructed for solving the BGK equation, to the more challenging case of the Boltzmann equation. The scheme combines a robust and fast method for treating the transport part based on an innovative Lagrangian technique supplemented with conservative fast spectral schemes to treat the collisional operator by means of an operator splitting approach. This approach along with several implementation features related to the parallelization of the algorithm permits to construct an efficient simulation tool which is numerically tested against exact and reference solutions on classical problems arising in rarefied gas dynamic. We present results up to the 3 D × 3 D case for unsteady flows for the Variable Hard Sphere model which may serve as benchmark for future comparisons between different numerical methods for solving the multidimensional Boltzmann equation. For this reason, we also provide for each problem studied details on the computational cost and memory consumption as well as comparisons with the BGK model or the limit model of compressible Euler equations.
Spherical harmonics and energy polynomial solution of the Boltzmann equation for neutrons, 1
International Nuclear Information System (INIS)
Toledo, P.S. de
1974-01-01
The approximate solution of the source-free energy-dependent Boltzmann transport equation for neutrons in plane geometry and isotropic scattering case was given by Leonard and Ferziger using a truncated development in a series of energy-polynomials for the energy dependent neutron flux and solving exactly for the angular dependence. The presence in the general solution of eigenfunctions belonging to a continuous spectrum gives rise to difficult analytical problems in the application of their method even to simple problems. To avoid such difficulties, the angular dependence is treated by a spherical harmonics method and a general solution of the energy-dependent transport equation in plane geometry and isotropic scattering is obtained, in spite of the appearance of matrices as argument of the angular polynomials [pt
On kinetic Boltzmann equations and related hydrodynamic flows with dry viscosity
Directory of Open Access Journals (Sweden)
Nikolai N. Bogoliubov (Jr.
2007-01-01
Full Text Available A two-component particle model of Boltzmann-Vlasov type kinetic equations in the form of special nonlinear integro-differential hydrodynamic systems on an infinite-dimensional functional manifold is discussed. We show that such systems are naturally connected with the nonlinear kinetic Boltzmann-Vlasov equations for some one-dimensional particle flows with pointwise interaction potential between particles. A new type of hydrodynamic two-component Benney equations is constructed and their Hamiltonian structure is analyzed.
Multilevel Methods for the Poisson-Boltzmann Equation
Holst, Michael Jay
We consider the numerical solution of the Poisson -Boltzmann equation (PBE), a three-dimensional second order nonlinear elliptic partial differential equation arising in biophysics. This problem has several interesting features impacting numerical algorithms, including discontinuous coefficients representing material interfaces, rapid nonlinearities, and three spatial dimensions. Similar equations occur in various applications, including nuclear physics, semiconductor physics, population genetics, astrophysics, and combustion. In this thesis, we study the PBE, discretizations, and develop multilevel-based methods for approximating the solutions of these types of equations. We first outline the physical model and derive the PBE, which describes the electrostatic potential of a large complex biomolecule lying in a solvent. We next study the theoretical properties of the linearized and nonlinear PBE using standard function space methods; since this equation has not been previously studied theoretically, we provide existence and uniqueness proofs in both the linearized and nonlinear cases. We also analyze box-method discretizations of the PBE, establishing several properties of the discrete equations which are produced. In particular, we show that the discrete nonlinear problem is well-posed. We study and develop linear multilevel methods for interface problems, based on algebraic enforcement of Galerkin or variational conditions, and on coefficient averaging procedures. Using a stencil calculus, we show that in certain simplified cases the two approaches are equivalent, with different averaging procedures corresponding to different prolongation operators. We also develop methods for nonlinear problems based on a nonlinear multilevel method, and on linear multilevel methods combined with a globally convergent damped-inexact-Newton method. We derive a necessary and sufficient descent condition for the inexact-Newton direction, enabling the development of extremely
International Nuclear Information System (INIS)
Kawashima, S.; Matsumara, A.; Nishida, T.
1979-01-01
The compressible and heat-conductive Navier-Stokes equation obtained as the second approximation of the formal Chapman-Enskog expansion is investigated on its relations to the original nonlinear Boltzmann equation and also to the incompressible Navier-Stokes equation. The solutions of the Boltzmann equation and the incompressible Navier-Stokes equation for small initial data are proved to be asymptotically equivalent (mod decay rate tsup(-5/4)) as t → + infinitely to that of the compressible Navier-Stokes equation for the corresponding initial data. (orig.) 891 HJ/orig. 892 MKO
Computational Aeroacoustics Using the Generalized Lattice Boltzmann Equation, Phase I
National Aeronautics and Space Administration — The overall objective of the proposed project is to develop a generalized lattice Boltzmann (GLB) approach as a potential computational aeroacoustics (CAA) tool for...
Self-consistent relativistic Boltzmann-Uehling-Uhlenbeck equation for the Δ distribution function
International Nuclear Information System (INIS)
Mao, G.; Li, Z.; Zhuo, Y.
1996-01-01
We derive the self-consistent relativistic Boltzmann-Uehling-Uhlenbeck (RBUU) equation for the delta distribution function within the framework which we have done for nucleon close-quote s. In our approach, the Δ isobars are treated in essentially the same way as nucleons. Both mean field and collision terms of Δ close-quote s RBUU equation are derived from the same effective Lagrangian and presented analytically. We calculate the in-medium NΔ elastic and inelastic scattering cross sections up to twice nuclear matter density and the results show that the in-medium cross sections deviate substantially from Cugnon close-quote s parametrization that is commonly used in the transport model. copyright 1996 The American Physical Society
An improved FMM Algorithm of the 3d-linearized Poisson-Boltzmann Equation
Directory of Open Access Journals (Sweden)
Mehrez issa
2015-06-01
Full Text Available This paper presents a new FMM algorithm for the linearized Poisson-Boltzmann equation in three dimensions. The performance of the proposed algorithm is assessed on a example in three dimensions and compared with the direct method. The numerical results show the power of the new method, that allow to achieve the best schemes to reduce the time of the particle interactions, which are based on diagonal form of translation operators for linearized Poisson-Boltzmann equation.
International Nuclear Information System (INIS)
Gamba, Irene M.; Haack, Jeffrey R.
2014-01-01
We present the formulation of a conservative spectral method for the Boltzmann collision operator with anisotropic scattering cross-sections. The method is an extension of the conservative spectral method of Gamba and Tharkabhushanam [17,18], which uses the weak form of the collision operator to represent the collisional term as a weighted convolution in Fourier space. The method is tested by computing the collision operator with a suitably cut-off angular cross section and comparing the results with the solution of the Landau equation. We analytically study the convergence rate of the Fourier transformed Boltzmann collision operator in the grazing collisions limit to the Fourier transformed Landau collision operator under the assumption of some regularity and decay conditions of the solution to the Boltzmann equation. Our results show that the angular singularity which corresponds to the Rutherford scattering cross section is the critical singularity for which a grazing collision limit exists for the Boltzmann operator. Additionally, we numerically study the differences between homogeneous solutions of the Boltzmann equation with the Rutherford scattering cross section and an artificial cross section, which give convergence to solutions of the Landau equation at different asymptotic rates. We numerically show the rate of the approximation as well as the consequences for the rate of entropy decay for homogeneous solutions of the Boltzmann equation and Landau equation
International Nuclear Information System (INIS)
Bartolomaeus, G.; Wilhelm, J.
1982-01-01
In the kinetic theory a great variety of physical systems is investigated by means of Boltzmann-like equations. This approach is used for neutral gases, neutron as well as radiation transport, plasmas etc. For many problems the knowledge of the properties of the collision operators is of great importance, especially if eigenvalue problems occur. The paper presents an investigation of the properties of the collision operators of the Boltzmann equation covering elastic, exciting and deexciting processes in a weakly ionized plasma. First, a short survey of the importance of eigenfunctions and eigenvalues in the kinetic theory of various systems is given. Then, properties of the outscattering operator as dependent on the course of the differential cross section are considered. Finally, for the inscattering operator such properties as selfadjointness and rotational invariance are investigated in detail. These considerations provide the basis for the proof of compactness and for first conclusions on the spectral properties of the collision operators in the second part of this paper. (author)
Boltzmann equation for a mixture of gases with non-conservative processes
International Nuclear Information System (INIS)
Martiarena, M.L.
1989-01-01
The nonlinear and non-isotropic Boltzmann equation (NLBE) including several molecular species, non-conservative channels and external forces. The general solution of that equation is obtained for a spatially homogeneous mixture of L gases, consisting of Maxwell particles, as a Generalized Laguerre expansion, within a Hilbert space. Removal and self-generation effects are included in presence of a time-dependent external force. An exact particular solution is studied generalizing the well-known BKW-mode for a mixture of L gases with inelastic processes. An homogeneous gas of test particles, in d dimension, is considered which interacts with a background host medium in the presence of an external space and time dependent force. Scattering, removal and self-generation collisions are included. The inhomogeneous Boltzmann equation for this system to an homogeneous one is reduced without background or external forces, using a generalized Nilkoskii transform. It is shown that a background of field particles can confine the test gas, even in absence of external forces. Furthermore, the solution of NLBE with non-isotropic singular initial conditions, is analyzed. The NLBE is transformed into an integral equation which is solved iteratively. The evolution of delta and step singularities in the distribution function is discussed during the initial layer and compared with the isotropic case. As an application of the methods abovementioned, the collision of a beam of ions or neutral atoms with a carbon-foil is considered. The electron experimental spectra from a transport equation is described. It is supposed that convoy electron may be produced inside the solid by single ion-atom collisions as ELC or ECC. The produced electrons lost energy by collision with the atoms of the material, which are considered at rest. The electron distribution function is numerically calculated. The ratio between the intrinsic convoy electron peak height to the background electron intensity
Matin, Rastin; Hernandez, Anier; Misztal, Marek; Mathiesen, Joachim
2015-04-01
Many hydrodynamic phenomena ranging from flows at micron scale in porous media, large Reynolds numbers flows, non-Newtonian and multiphase flows have been simulated on computers using the lattice Boltzmann (LB) method. By solving the Lattice Boltzmann Equation on unstructured meshes in three dimensions, we have developed methods to efficiently model the fluid flow in real rock samples. We use this model to study the spatio-temporal statistics of the velocity field inside three-dimensional real geometries and investigate its relation to the, in general, anomalous transport of passive tracers for a wide range of Peclet and Reynolds numbers. We extend this model by free-energy based method, which allows us to simulate binary systems with large-density ratios in a thermodynamically consistent way and track the interface explicitly. In this presentation we will present our recent results on both anomalous transport and multiphase segregation.
Viscous flow computations with the lattice-Boltzmann equation method
Yu, Dazhi
2002-09-01
The lattice Boltzmann equation (LBE) method is a kinetics-based approach for fluid flow computations, and it is amenable to parallel computing. Compared to the well-established Navier-Stokes (NS) approaches, critical issues remain with the LBE method, noticeably flexible spatial resolution, boundary treatments, and dispersion and relaxation time mode. Those issues are addressed in this dissertation with improved practice presented. At the formulation level, both the single-relaxation-time (SRT) and multiple-relaxation-time (MRT) models are analyzed. The SRT model involves no artificial parameters, with a constant relaxation time regulating the physical value of fluid viscosity. The MRT model allows different relaxation time scales for different variables. Computational assessment shows that the MRT model has advantages over the SRT model in maintaining stability, reducing the oscillation, and improving the convergence rate in the computation. A multi-block method is developed for both the SRT and MRT model to facilitate flexible spatial resolutions according to the flow structures. The formulae for information exchange at the interface between coarse and fine grids are derived to ensure the mass and momentum conservation while maintaining the second-order accuracy. A customized time matching between coarse and fine grids is also presented to ensure smooth exchange information. Results show that the multi-block method can greatly increase the computational efficiency of the LBE method without losing the accuracy. Two methods of force evaluation in LBE are examined: one based on stress integration on the solid boundary and the other momentum exchange between fluid and solid. The momentum exchange method is found to be simpler to implement while the integration of stress requires evaluation of the detailed surface geometry and extrapolation of stress-related variables to the same surface. The momentum exchange method performs better overall. Improved treatments for
Coupling Boltzmann and Navier-Stokes Equations by Friction
Bourgat, Jean-François; Le Tallec, Patrick; Tidriri, Moulay D.
1995-01-01
Projet MENUSIN; The aim of this paper is to introduce and validate a coupled Navier-Stokes Boltzmann approach for the calculation of hypersonic rarefied flows around manoeuvering vehicles. The proposed strategy uses locally a kinetic model in the boundary layer coupled through wall friction forces to a global Navier-Stokes solver. Different numerical experiments illustrate the potentialities of the method.
Normal and adjoint integral and integrodifferential neutron transport equations. Pt. 2
International Nuclear Information System (INIS)
Velarde, G.
1976-01-01
Using the simplifying hypotheses of the integrodifferential Boltzmann equations of neutron transport, given in JEN 334 report, several integral equations, and theirs adjoint ones, are obtained. Relations between the different normal and adjoint eigenfunctions are established and, in particular, proceeding from the integrodifferential Boltzmann equation it's found out the relation between the solutions of the adjoint equation of its integral one, and the solutions of the integral equation of its adjoint one (author)
International Nuclear Information System (INIS)
Schofield, S.L.
1988-01-01
Ackroyd's generalized least-squares method for solving the first-order Boltzmann equation is adapted to incorporate a potential treatment of voids. The adaptation comprises a direct least-squares minimization allied with a suitably-defined bilinear functional. The resulting formulation gives rise to a maximum principle whose functional does not contain terms of the type that have previously led to difficulties in treating void regions. The maximum principle is derived without requiring continuity of the flux at interfaces. The functional of the maximum principle is concluded to have an Euler-Lagrange equation given directly by the first-order Boltzmann equation. (author)
Swarm analysis by using transport equations
International Nuclear Information System (INIS)
Dote, Toshihiko.
1985-01-01
As the basis of weak ionization plasma phenomena, the motion, i.e. swarm, of charged particles in the gas is analyzed by use of the transport equations, from which basic nature of the swarm is discussed. The present report is an overview of the studies made in the past several years. Described are principally the most basic aspects concerning behaviors of the electrons and positive ions, that is, the basic equations and their significance, characteristics of the behaviors of the electron and positive ion swarms as revealed by solving the equations, and various characteristics of the swarm parameters. Contents are: Maxwell-Boltzmann's transport equations, behavior of the electron swarm, energy loss of the electrons, and behavior of the positive ion swarm. (Mori, K.)
Directory of Open Access Journals (Sweden)
Nilson C. Roberty
2011-01-01
Full Text Available We introduce algorithms marching over a polygonal mesh with elements consistent with the propagation directions of the particle (radiation flux. The decision for adopting this kind of mesh to solve the one-speed Boltzmann transport equation is due to characteristics of the domain of the transport operator which controls derivatives only in the direction of propagation of the particles (radiation flux in the absorbing and scattering media. This a priori adaptivity has the advantages that it formulates a consistent scheme which makes appropriate the application of the Lax equivalence theorem framework to the problem. In this work, we present the main functional spaces involved in the formalism and a description of the algorithms for the mesh generation and the transport equation solution. Some numerical examples related to the solution of a transmission problem in a high-contrast model with absorption and scattering are presented. Also, a comparison with benchmarks problems for source and reactor criticality simulations shows the compatibility between calculations with the algorithms proposed here and theoretical results.
Jet propagation within a Linearized Boltzmann Transport model
Energy Technology Data Exchange (ETDEWEB)
Luo, Tan; He, Yayun [Key Laboratory of Quark and Lepton Physics (MOE) and Institute of Particle Physics, Central China Normal University, Wuhan 430079 (China); Wang, Xin-Nian [Key Laboratory of Quark and Lepton Physics (MOE) and Institute of Particle Physics, Central China Normal University, Wuhan 430079 (China); Nuclear Science Division, Mailstop 70R0319, Lawrence Berkeley National Laboratory, Berkeley, CA 94740 (United States); Zhu, Yan [Departamento de Física de Partículas and IGFAE, Universidade de Santiago de Compostela, E-15706 Santiago de Compostela, Galicia (Spain)
2014-12-15
A Linearized Boltzmann Transport (LBT) model has been developed for the study of parton propagation inside quark–gluon plasma. Both leading and thermal recoiled partons are tracked in order to include the effect of jet-induced medium excitation. In this talk, we present a study within the LBT model in which we implement the complete set of elastic parton scattering processes. We investigate elastic parton energy loss and their energy and length dependence. We further investigate energy loss and transverse shape of reconstructed jets. Contributions from the recoiled thermal partons and jet-induced medium excitations are found to have significant influences on the jet energy loss and transverse profile.
Swarm analysis by using transport equations, 1
International Nuclear Information System (INIS)
Dote, Toshihiko; Shimada, Masatoshi
1980-01-01
By evolving Maxwell-Boltzmann transport equations, various quantities on swarm of charged particles have been analyzed. Although this treatment is properly general, and common transport equations for charged particles ought to be given, in particular, equations only for electrons were presented here. The relation between the random energy and the drift energy was first derived and the general expression of the electron velocity was deduced too. For a simple example, one dimensional steady-state electron swarm in a uniform medium was treated. Electron swarm characteristics numerically calculated in He, Ne or Ar exhibited some interesting properties, which were physically clearly elucidated. These results were also compared with several data already published. Agreements between them were qualitatively rather well in detailed structures. (author)
International Nuclear Information System (INIS)
Rodriguez, Barbara A.; Borges, Volnei; Vilhena, Marco Tullio
2005-01-01
In this work we would like to obtain a formulation of an analytic method for the solution of the three dimensional transport equation considering Compton scattering and an expression for total doses due to gamma radiation, where the deposited energy by the free electron will be considered. For that, we will work with two equations: the first one for the photon transport, considering the Klein-Nishina kernel and energy multigroup model, and the second one considering the free electron with the screened Rutherford scattering. (author)
DEFF Research Database (Denmark)
Johannessen, Kim
2014-01-01
The exact solution to the one-dimensional Poisson–Boltzmann equation with asymmetric boundary conditions can be expressed in terms of the Jacobi elliptic functions. The boundary conditions determine the modulus of the Jacobi elliptic functions. The boundary conditions can not be solved analytically...
Peristaltic particle transport using the Lattice Boltzmann method
Energy Technology Data Exchange (ETDEWEB)
Connington, Kevin William [Los Alamos National Laboratory; Kang, Qinjun [Los Alamos National Laboratory; Viswanathan, Hari S [Los Alamos National Laboratory; Abdel-fattah, Amr [Los Alamos National Laboratory; Chen, Shiyi [JOHNS HOPKINS UNIV.
2009-01-01
Peristaltic transport refers to a class of internal fluid flows where the periodic deformation of flexible containing walls elicits a non-negligible fluid motion. It is a mechanism used to transport fluid and immersed solid particles in a tube or channel when it is ineffective or impossible to impose a favorable pressure gradient or desirous to avoid contact between the transported mixture and mechanical moving parts. Peristaltic transport occurs in many physiological situations and has myriad industrial applications. We focus our study on the peristaltic transport of a macroscopic particle in a two-dimensional channel using the lattice Boltzmann method. We systematically investigate the effect of variation of the relevant dimensionless parameters of the system on the particle transport. We find, among other results, a case where an increase in Reynolds number can actually lead to a slight increase in particle transport, and a case where, as the wall deformation increases, the motion of the particle becomes non-negative only. We examine the particle behavior when the system exhibits the peculiar phenomenon of fluid trapping. Under these circumstances, the particle may itself become trapped where it is subsequently transported at the wave speed, which is the maximum possible transport in the absence of a favorable pressure gradient. Finally, we analyze how the particle presence affects stress, pressure, and dissipation in the fluid in hopes of determining preferred working conditions for peristaltic transport of shear-sensitive particles. We find that the levels of shear stress are most hazardous near the throat of the channel. We advise that shear-sensitive particles should be transported under conditions where trapping occurs as the particle is typically situated in a region of innocuous shear stress levels.
Application of Boltzmann equation to electron transmission and seconary electron emission
International Nuclear Information System (INIS)
Lanteri, H.; Bindi, R.; Rostaing, P.
1979-01-01
A method is presented for numerical treatment of integro-differential equation, based upon finite difference techniques. This method allows to formulate in a satisfactory manner the Boltzmann's equation applied to backscattering, transmission and secondary emission of metallic targets, avoiding must of the restrictive hypothesis, used until now in these models. For aluminium, the calculated energy spectra, angular distribution, transmission and backscattering coefficients, and secondary emission yield, are found to be in good agreement with experiment [fr
Stable lattice Boltzmann model for Maxwell equations in media
Hauser, A.; Verhey, J. L.
2017-12-01
The present work shows a method for stable simulations via the lattice Boltzmann (LB) model for electromagnetic waves (EM) transiting homogeneous media. LB models for such media were already presented in the literature, but they suffer from numerical instability when the media transitions are sharp. We use one of these models in the limit of pure vacuum derived from Liu and Yan [Appl. Math. Model. 38, 1710 (2014), 10.1016/j.apm.2013.09.009] and apply an extension that treats the effects of polarization and magnetization separately. We show simulations of simple examples in which EM waves travel into media to quantify error scaling, stability, accuracy, and time scaling. For conductive media, we use the Strang splitting and check the simulations accuracy at the example of the skin effect. Like pure EM propagation, the error for the static limits, which are constructed with a current density added in a first-order scheme, can be less than 1 % . The presented method is an easily implemented alternative for the stabilization of simulation for EM waves propagating in spatially complex structured media properties and arbitrary transitions.
General particle transport equation. Final report
International Nuclear Information System (INIS)
Lafi, A.Y.; Reyes, J.N. Jr.
1994-12-01
The general objectives of this research are as follows: (1) To develop fundamental models for fluid particle coalescence and breakage rates for incorporation into statistically based (Population Balance Approach or Monte Carlo Approach) two-phase thermal hydraulics codes. (2) To develop fundamental models for flow structure transitions based on stability theory and fluid particle interaction rates. This report details the derivation of the mass, momentum and energy conservation equations for a distribution of spherical, chemically non-reacting fluid particles of variable size and velocity. To study the effects of fluid particle interactions on interfacial transfer and flow structure requires detailed particulate flow conservation equations. The equations are derived using a particle continuity equation analogous to Boltzmann's transport equation. When coupled with the appropriate closure equations, the conservation equations can be used to model nonequilibrium, two-phase, dispersed, fluid flow behavior. Unlike the Eulerian volume and time averaged conservation equations, the statistically averaged conservation equations contain additional terms that take into account the change due to fluid particle interfacial acceleration and fluid particle dynamics. Two types of particle dynamics are considered; coalescence and breakage. Therefore, the rate of change due to particle dynamics will consider the gain and loss involved in these processes and implement phenomenological models for fluid particle breakage and coalescence
Boltzmann equation analysis of electron-molecule collision cross sections in water vapor and ammonia
International Nuclear Information System (INIS)
Yousfi, M.; Benabdessadok, M.D.
1996-01-01
Sets of electron-molecule collision cross sections for H 2 O and NH 3 have been determined from a classical technique of electron swarm parameter unfolding. This deconvolution method is based on a simplex algorithm using a powerful multiterm Boltzmann equation analysis established in the framework of the classical hydrodynamic approximation. It is well adapted for the simulation of the different classes of swarm experiments (i.e., time resolved, time of flight, and steady state experiments). The sets of collision cross sections that exist in the literature are reviewed and analyzed. Fitted sets of cross sections are determined for H 2 O and NH 3 which exhibit features characteristic of polar molecules such as high rotational excitation collision cross sections. The hydrodynamic swarm parameters (i.e., drift velocity, longitudinal and transverse diffusion coefficients, ionization and attachment coefficients) calculated from the fitted sets are in excellent agreement with the measured ones. These sets are finally used to calculate the transport and reaction coefficients needed for discharge modeling in two cases of typical gas mixtures for which experimental swarm data are very sparse or nonexistent (i.e., flue gas mixtures and gas mixtures for rf plasma surface treatment). copyright 1996 American Institute of Physics
Numerical Treatment of the Boltzmann Equation for Self-Propelled Particle Systems
Directory of Open Access Journals (Sweden)
Florian Thüroff
2014-11-01
Full Text Available Kinetic theories constitute one of the most promising tools to decipher the characteristic spatiotemporal dynamics in systems of actively propelled particles. In this context, the Boltzmann equation plays a pivotal role, since it provides a natural translation between a particle-level description of the system’s dynamics and the corresponding hydrodynamic fields. Yet, the intricate mathematical structure of the Boltzmann equation substantially limits the progress toward a full understanding of this equation by solely analytical means. Here, we propose a general framework to numerically solve the Boltzmann equation for self-propelled particle systems in two spatial dimensions and with arbitrary boundary conditions. We discuss potential applications of this numerical framework to active matter systems and use the algorithm to give a detailed analysis to a model system of self-propelled particles with polar interactions. In accordance with previous studies, we find that spatially homogeneous isotropic and broken-symmetry states populate two distinct regions in parameter space, which are separated by a narrow region of spatially inhomogeneous, density-segregated moving patterns. We find clear evidence that these three regions in parameter space are connected by first-order phase transitions and that the transition between the spatially homogeneous isotropic and polar ordered phases bears striking similarities to liquid-gas phase transitions in equilibrium systems. Within the density-segregated parameter regime, we find a novel stable limit-cycle solution of the Boltzmann equation, which consists of parallel lanes of polar clusters moving in opposite directions, so as to render the overall symmetry of the system’s ordered state nematic, despite purely polar interactions on the level of single particles.
Energy Technology Data Exchange (ETDEWEB)
EL Safadi, M
2007-03-15
We study the regularity of kinetic equations of Boltzmann type.We use essentially Littlewood-Paley method from harmonic analysis, consisting mainly in working with dyadics annulus. We shall mainly concern with the homogeneous case, where the solution f(t,x,v) depends only on the time t and on the velocities v, while working with realistic and singular cross-sections (non cutoff). In the first part, we study the particular case of Maxwellian molecules. Under this hypothesis, the structure of the Boltzmann operator and his Fourier transform write in a simple form. We show a global C{sup {infinity}} regularity. Then, we deal with the case of general cross-sections with 'hard potential'. We are interested in the Landau equation which is limit equation to the Boltzmann equation, taking in account grazing collisions. We prove that any weak solution belongs to Schwartz space S. We demonstrate also a similar regularity for the case of Boltzmann equation. Let us note that our method applies directly for all dimensions, and proofs are often simpler compared to other previous ones. Finally, we finish with Boltzmann-Dirac equation. In particular, we adapt the result of regularity obtained in Alexandre, Desvillettes, Wennberg and Villani work, using the dissipation rate connected with Boltzmann-Dirac equation. (author)
From Newton's Law to the Linear Boltzmann Equation Without Cut-Off
Ayi, Nathalie
2017-03-01
We provide a rigorous derivation of the linear Boltzmann equation without cut-off starting from a system of particles interacting via a potential with infinite range as the number of particles N goes to infinity under the Boltzmann-Grad scaling. More particularly, we will describe the motion of a tagged particle in a gas close to global equilibrium. The main difficulty in our context is that, due to the infinite range of the potential, a non-integrable singularity appears in the angular collision kernel, making no longer valid the single-use of Lanford's strategy. Our proof relies then on a combination of Lanford's strategy, of tools developed recently by Bodineau, Gallagher and Saint-Raymond to study the collision process, and of new duality arguments to study the additional terms associated with the long-range interaction, leading to some explicit weak estimates.
International Nuclear Information System (INIS)
Stoltz, G; Lazzeri, M; Mauri, F
2009-01-01
We present a study of the phononic thermal conductivity of isotopically disordered carbon nanotubes. In particular, the behaviour of the thermal conductivity as a function of the system length is investigated, using Green's function techniques to compute the transmission across the system. The method is implemented using linear scaling algorithms, which allow us to reach systems of lengths up to L = 2.5 μm (with up to 200 000 atoms). As for 1D systems, it is observed that the conductivity diverges with the system size L. We also observe a dramatic decrease of the thermal conductance for systems of experimental sizes (roughly 80% at room temperature for L = 2.5 μm), when a large fraction of isotopic disorder is introduced. The results obtained with Green's function techniques are compared to results obtained with a Boltzmann description of thermal transport. There is a good agreement between both approaches for systems of experimental sizes, even in the presence of Anderson localization. This is particularly interesting since the computation of the transmission using Boltzmann's equation is much less computationally expensive, so that larger systems may be studied with this method.
Simulation of 2D rarefied gas flows based on the numerical solution of the Boltzmann equation
Poleshkin, Sergey O.; Malkov, Ewgenij A.; Kudryavtsev, Alexey N.; Shershnev, Anton A.; Bondar, Yevgeniy A.; Kohanchik, A. A.
2017-10-01
There are various methods for calculating rarefied gas flows, in particular, statistical methods and deterministic methods based on the finite-difference solutions of the Boltzmann nonlinear kinetic equation and on the solutions of model kinetic equations. There is no universal method; each has its disadvantages in terms of efficiency or accuracy. The choice of the method depends on the problem to be solved and on parameters of calculated flows. Qualitative theoretical arguments help to determine the range of parameters of effectively solved problems for each method; however, it is advisable to perform comparative tests of calculations of the classical problems performed by different methods and with different parameters to have quantitative confirmation of this reasoning. The paper provides the results of the calculations performed by the authors with the help of the Direct Simulation Monte Carlo method and finite-difference methods of solving the Boltzmann equation and model kinetic equations. Based on this comparison, conclusions are made on selecting a particular method for flow simulations in various ranges of flow parameters.
Chatterjee, Dipankar; Amiroudine, Sakir
2011-02-01
A comprehensive non-isothermal Lattice Boltzmann (LB) algorithm is proposed in this article to simulate the thermofluidic transport phenomena encountered in a direct-current (DC) magnetohydrodynamic (MHD) micropump. Inside the pump, an electrically conducting fluid is transported through the microchannel by the action of an electromagnetic Lorentz force evolved out as a consequence of the interaction between applied electric and magnetic fields. The fluid flow and thermal characteristics of the MHD micropump depend on several factors such as the channel geometry, electromagnetic field strength and electrical property of the conducting fluid. An involved analysis is carried out following the LB technique to understand the significant influences of the aforementioned controlling parameters on the overall transport phenomena. In the LB framework, the hydrodynamics is simulated by a distribution function, which obeys a single scalar kinetic equation associated with an externally imposed electromagnetic force field. The thermal history is monitored by a separate temperature distribution function through another scalar kinetic equation incorporating the Joule heating effect. Agreement with analytical, experimental and other available numerical results is found to be quantitative.
Energy Technology Data Exchange (ETDEWEB)
Anwar, S.; Cortis, A.; Sukop, M.
2008-10-20
Lattice Boltzmann models simulate solute transport in porous media traversed by conduits. Resulting solute breakthrough curves are fitted with Continuous Time Random Walk models. Porous media are simulated by damping flow inertia and, when the damping is large enough, a Darcy's Law solution instead of the Navier-Stokes solution normally provided by the lattice Boltzmann model is obtained. Anisotropic dispersion is incorporated using a direction-dependent relaxation time. Our particular interest is to simulate transport processes outside the applicability of the standard Advection-Dispersion Equation (ADE) including eddy mixing in conduits. The ADE fails to adequately fit any of these breakthrough curves.
Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.
2013-01-01
A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the
Energy Technology Data Exchange (ETDEWEB)
Ayissi, Raoul Domingo, E-mail: raoulayissi@yahoo.fr; Noutchegueme, Norbert, E-mail: nnoutch@yahoo.fr [Department of Mathematics, Faculty of Science, University of Yaounde I, P.O. Box 812, Yaounde (Cameroon)
2015-01-15
Global solutions regular for the Einstein-Boltzmann equation on a magnetized Bianchi type-I cosmological model with the cosmological constant are investigated. We suppose that the metric is locally rotationally symmetric. The Einstein-Boltzmann equation has been already considered by some authors. But, in general Bancel and Choquet-Bruhat [Ann. Henri Poincaré XVIII(3), 263 (1973); Commun. Math. Phys. 33, 83 (1973)], they proved only the local existence, and in the case of the nonrelativistic Boltzmann equation. Mucha [Global existence of solutions of the Einstein-Boltzmann equation in the spatially homogeneous case. Evolution equation, existence, regularity and singularities (Banach Center Publications, Institute of Mathematics, Polish Academy of Science, 2000), Vol. 52] obtained a global existence result, for the relativistic Boltzmann equation coupled with the Einstein equations and using the Yosida operator, but confusing unfortunately with the nonrelativistic case. Noutchegueme and Dongho [Classical Quantum Gravity 23, 2979 (2006)] and Noutchegueme, Dongho, and Takou [Gen. Relativ. Gravitation 37, 2047 (2005)], have obtained a global solution in time, but still using the Yosida operator and considering only the uncharged case. Noutchegueme and Ayissi [Adv. Stud. Theor. Phys. 4, 855 (2010)] also proved a global existence of solutions to the Maxwell-Boltzmann system using the characteristic method. In this paper, we obtain using a method totally different from those used in the works of Noutchegueme and Dongho [Classical Quantum Gravity 23, 2979 (2006)], Noutchegueme, Dongho, and Takou [Gen. Relativ. Gravitation 37, 2047 (2005)], Noutchegueme and Ayissi [Adv. Stud. Theor. Phys. 4, 855 (2010)], and Mucha [Global existence of solutions of the Einstein-Boltzmann equation in the spatially homogeneous case. Evolution equation, existence, regularity and singularities (Banach Center Publications, Institute of Mathematics, Polish Academy of Science, 2000), Vol. 52] the
Fermion propagator in an out of equilibrium quantum-field system and the Boltzmann equation
International Nuclear Information System (INIS)
Niegawa, A.
2002-01-01
We aim to construct from first principles a perturbative framework for studying nonequilibrium quantum-field systems that include massless Dirac fermions. The system of our concern is a quasiuniform system near equilibrium or a nonequilibrium quasistationary system. We employ the closed-time-path formalism and use the so-called gradient approximation. Essentially no further approximation is introduced. We construct a fermion propagator, with which a well-defined perturbative framework is formulated. In the course of the construction of the framework, we obtain the generalized Boltzmann equation that describes the evolution of the number-density functions of (anti)fermionic quasiparticles
The linearized Boltzmann equation: a concise and accurate solution of the temperature-jump problem
Siewert, C E
2003-01-01
Polynomial expansion procedures, along with an analytical discrete-ordinates method, are used to solve the temperature-jump problem based on a rigorous version of the linearized Boltzmann equation for rigid-sphere interactions. In particular, the temperature and density perturbations and the temperature-jump coefficient are obtained (essentially) analytically in terms of a modern version of the discrete-ordinates method. The developed algorithms are implemented for general values of the accommodation coefficient to yield numerical results that can be considered a new standard of reference.
Nagakura, Hiroki; Iwakami, Wakana; Furusawa, Shun; Okawa, Hirotada; Harada, Akira; Sumiyoshi, Kohsuke; Yamada, Shoichi; Matsufuru, Hideo; Imakura, Akira
2018-02-01
We present the first results of our spatially axisymmetric core-collapse supernova simulations with full Boltzmann neutrino transport, which amount to a time-dependent five-dimensional (two in space and three in momentum space) problem. Special relativistic effects are fully taken into account with a two-energy-grid technique. We performed two simulations for a progenitor of 11.2 M ⊙, employing different nuclear equations of state (EOSs): Lattimer and Swesty’s EOS with the incompressibility of K = 220 MeV (LS EOS) and Furusawa’s EOS based on the relativistic mean field theory with the TM1 parameter set (FS EOS). In the LS EOS, the shock wave reaches ∼700 km at 300 ms after bounce and is still expanding, whereas in the FS EOS it stalled at ∼200 km and has started to recede by the same time. This seems to be due to more vigorous turbulent motions in the former during the entire postbounce phase, which leads to higher neutrino-heating efficiency in the neutrino-driven convection. We also look into the neutrino distributions in momentum space, which is the advantage of the Boltzmann transport over other approximate methods. We find nonaxisymmetric angular distributions with respect to the local radial direction, which also generate off-diagonal components of the Eddington tensor. We find that the rθ component reaches ∼10% of the dominant rr component and, more importantly, it dictates the evolution of lateral neutrino fluxes, dominating over the θθ component, in the semitransparent region. These data will be useful to further test and possibly improve the prescriptions used in the approximate methods.
Nanoscale roughness effect on Maxwell-like boundary conditions for the Boltzmann equation
Energy Technology Data Exchange (ETDEWEB)
Brull, S., E-mail: Stephane.Brull@math.u-bordeaux.fr; Charrier, P., E-mail: Pierre.Charrier@math.u-bordeaux.fr; Mieussens, L., E-mail: Luc.Mieussens@math.u-bordeaux.fr [University of Bordeaux, CNRS, Bordeaux INP, IMB, UMR 5251, F-33400 Talence (France)
2016-08-15
It is well known that the roughness of the wall has an effect on microscale gas flows. This effect can be shown for large Knudsen numbers by using a numerical solution of the Boltzmann equation. However, when the wall is rough at a nanometric scale, it is necessary to use a very small mesh size which is much too expansive. An alternative approach is to incorporate the roughness effect in the scattering kernel of the boundary condition, such as the Maxwell-like kernel introduced by the authors in a previous paper. Here, we explain how this boundary condition can be implemented in a discrete velocity approximation of the Boltzmann equation. Moreover, the influence of the roughness is shown by computing the structure scattering pattern of mono-energetic beams of the incident gas molecules. The effect of the angle of incidence of these molecules, of their mass, and of the morphology of the wall is investigated and discussed in a simplified two-dimensional configuration. The effect of the azimuthal angle of the incident beams is shown for a three-dimensional configuration. Finally, the case of non-elastic scattering is considered. All these results suggest that our approach is a promising way to incorporate enough physics of gas-surface interaction, at a reasonable computing cost, to improve kinetic simulations of micro- and nano-flows.
Lid-driven cavity flow using a discrete velocity method for solving the Boltzmann equation
Sekaran, Aarthi; Varghese, Philip; Estes, Samuel; Goldstein, David
2016-11-01
We extend the discrete velocity method for solving the Boltzmann equation previously used for one-dimensional problems to two spatial dimensions. The collision integral is computed using collisions between velocity classes selected randomly using a Monte Carlo method. Arbitrary post-collision velocities are mapped back onto the grid using a projection scheme which conserves mass, momentum, and energy. In addition, a variance reduction scheme is implemented to decrease noise and further reduce computational effort. The convection part of the equation is computed using first order upwind finite differences. We apply this discrete velocity scheme to the 2D lid-driven square cavity flow problem with Ar as the fluid medium and explore the effect of the additional flexibility available in this quasi-particle based stochastic method on the accuracy and noise level in the solutions obtained.
Cole-Hopf Transformation Based Lattice Boltzmann Model for One-dimensional Burgers’ Equation
Qi, Xiao-Tong; Shi, Bao-Chang; Chai, Zhen-Hua
2018-03-01
In this paper, we present a Cole-Hopf transformation based lattice Boltzmann (LB) model for solving one-dimensional Burgers’ equation, and compared to available LB models, the effect of nonlinear convection term can be eliminated. Through Chapman-Enskog analysis, it can be found that the converted diffusion equation based on the Cole-Hopf transformation can be recovered correctly from present LB model. Some numerical tests are also performed to validate the present LB model, and the numerical results show that, similar to previous LB models, the present model also has a second-order convergence rate in space, but it is more accurate than the previous ones. Supported by the National Natural Science Foundation of China under Grant No. 51576079
Lattice Boltzmann model for high-order nonlinear partial differential equations
Chai, Zhenhua; He, Nanzhong; Guo, Zhaoli; Shi, Baochang
2018-01-01
In this paper, a general lattice Boltzmann (LB) model is proposed for the high-order nonlinear partial differential equation with the form ∂tϕ +∑k=1mαk∂xkΠk(ϕ ) =0 (1 ≤k ≤m ≤6 ), αk are constant coefficients, Πk(ϕ ) are some known differential functions of ϕ . As some special cases of the high-order nonlinear partial differential equation, the classical (m)KdV equation, KdV-Burgers equation, K (n ,n ) -Burgers equation, Kuramoto-Sivashinsky equation, and Kawahara equation can be solved by the present LB model. Compared to the available LB models, the most distinct characteristic of the present model is to introduce some suitable auxiliary moments such that the correct moments of equilibrium distribution function can be achieved. In addition, we also conducted a detailed Chapman-Enskog analysis, and found that the high-order nonlinear partial differential equation can be correctly recovered from the proposed LB model. Finally, a large number of simulations are performed, and it is found that the numerical results agree with the analytical solutions, and usually the present model is also more accurate than the existing LB models [H. Lai and C. Ma, Sci. China Ser. G 52, 1053 (2009), 10.1007/s11433-009-0149-3; H. Lai and C. Ma, Phys. A (Amsterdam) 388, 1405 (2009), 10.1016/j.physa.2009.01.005] for high-order nonlinear partial differential equations.
Farrell, Patricio; Koprucki, Thomas; Fuhrmann, Jürgen
2017-10-01
We compare three thermodynamically consistent numerical fluxes known in the literature, appearing in a Voronoï finite volume discretization of the van Roosbroeck system with general charge carrier statistics. Our discussion includes an extension of the Scharfetter-Gummel scheme to non-Boltzmann (e.g. Fermi-Dirac) statistics. It is based on the analytical solution of a two-point boundary value problem obtained by projecting the continuous differential equation onto the interval between neighboring collocation points. Hence, it serves as a reference flux. The exact solution of the boundary value problem can be approximated by computationally cheaper fluxes which modify certain physical quantities. One alternative scheme averages the nonlinear diffusion (caused by the non-Boltzmann nature of the problem), another one modifies the effective density of states. To study the differences between these three schemes, we analyze the Taylor expansions, derive an error estimate, visualize the flux error and show how the schemes perform for a carefully designed p-i-n benchmark simulation. We present strong evidence that the flux discretization based on averaging the nonlinear diffusion has an edge over the scheme based on modifying the effective density of states.
Botello-Smith, Wesley M; Luo, Ray
2015-10-26
Continuum solvent models have been widely used in biomolecular modeling applications. Recently much attention has been given to inclusion of implicit membranes into existing continuum Poisson-Boltzmann solvent models to extend their applications to membrane systems. Inclusion of an implicit membrane complicates numerical solutions of the underlining Poisson-Boltzmann equation due to the dielectric inhomogeneity on the boundary surfaces of a computation grid. This can be alleviated by the use of the periodic boundary condition, a common practice in electrostatic computations in particle simulations. The conjugate gradient and successive over-relaxation methods are relatively straightforward to be adapted to periodic calculations, but their convergence rates are quite low, limiting their applications to free energy simulations that require a large number of conformations to be processed. To accelerate convergence, the Incomplete Cholesky preconditioning and the geometric multigrid methods have been extended to incorporate periodicity for biomolecular applications. Impressive convergence behaviors were found as in the previous applications of these numerical methods to tested biomolecules and MMPBSA calculations.
A Combined MPI-CUDA Parallel Solution of Linear and Nonlinear Poisson-Boltzmann Equation
Directory of Open Access Journals (Sweden)
José Colmenares
2014-01-01
Full Text Available The Poisson-Boltzmann equation models the electrostatic potential generated by fixed charges on a polarizable solute immersed in an ionic solution. This approach is often used in computational structural biology to estimate the electrostatic energetic component of the assembly of molecular biological systems. In the last decades, the amount of data concerning proteins and other biological macromolecules has remarkably increased. To fruitfully exploit these data, a huge computational power is needed as well as software tools capable of exploiting it. It is therefore necessary to move towards high performance computing and to develop proper parallel implementations of already existing and of novel algorithms. Nowadays, workstations can provide an amazing computational power: up to 10 TFLOPS on a single machine equipped with multiple CPUs and accelerators such as Intel Xeon Phi or GPU devices. The actual obstacle to the full exploitation of modern heterogeneous resources is efficient parallel coding and porting of software on such architectures. In this paper, we propose the implementation of a full Poisson-Boltzmann solver based on a finite-difference scheme using different and combined parallel schemes and in particular a mixed MPI-CUDA implementation. Results show great speedups when using the two schemes, achieving an 18.9x speedup using three GPUs.
A numerical solution of the linear Boltzmann equation using cubic B-splines.
Khurana, Saheba; Thachuk, Mark
2012-03-07
A numerical method using cubic B-splines is presented for solving the linear Boltzmann equation. The collision kernel for the system is chosen as the Wigner-Wilkins kernel. A total of three different representations for the distribution function are presented. Eigenvalues and eigenfunctions of the collision matrix are obtained for various mass ratios and compared with known values. Distribution functions, along with first and second moments, are evaluated for different mass and temperature ratios. Overall it is shown that the method is accurate and well behaved. In particular, moments can be predicted with very few points if the representation is chosen well. This method produces sparse matrices, can be easily generalized to higher dimensions, and can be cast into efficient parallel algorithms. © 2012 American Institute of Physics
International Nuclear Information System (INIS)
Ehnder, A.Ya.; Ehnder, I.A.
1999-01-01
A new approach to develop nonlinear moment method to solve the Boltzmann equation is presented. This approach is based on the invariance of collision integral as to the selection of the base functions. The Sonin polynomials with the Maxwell weighting function are selected to serve as the base functions. It is shown that for the arbitrary cross sections of the interaction the matrix elements corresponding to the moments from the nonlinear integral of collisions are bound by simple recurrent bonds enabling to express all nonlinear matrix elements in terms of the linear ones. As a result, high-efficiency numerical pattern to calculate nonlinear matrix elements is obtained. The presented approach offers possibilities both to calculate relaxation processes within high speed range and to some more complex kinetic problems [ru
International Nuclear Information System (INIS)
Ozaki, Hideaki
2004-01-01
Using the closed-time-path formalism, we construct perturbative frameworks, in terms of quasiparticle picture, for studying quasiuniform relativistic quantum field systems near equilibrium and non-equilibrium quasistationary systems. We employ the derivative expansion and take in up to the second-order term, i.e., one-order higher than the gradient approximation. After constructing self-energy resumed propagator, we formulated two kinds of mutually equivalent perturbative frameworks: The first one is formulated on the basis of the 'bare' number density function, and the second one is formulated on the basis of 'physical' number density function. In the course of construction of the second framework, the generalized Boltzmann equations directly come out, which describe the evolution of the system. (author)
Continuous surface force based lattice Boltzmann equation method for simulating thermocapillary flow
Energy Technology Data Exchange (ETDEWEB)
Zheng, Lin, E-mail: lz@njust.edu.cn [School of Energy and Power Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Zheng, Song [School of Mathematics and Statistics, Zhejiang University of Finance and Economics, Hangzhou 310018 (China); Zhai, Qinglan [School of Economics Management and Law, Chaohu University, Chaohu 238000 (China)
2016-02-05
In this paper, we extend a lattice Boltzmann equation (LBE) with continuous surface force (CSF) to simulate thermocapillary flows. The model is designed on our previous CSF LBE for athermal two phase flow, in which the interfacial tension forces and the Marangoni stresses as the results of the interface interactions between different phases are described by a conception of CSF. In this model, the sharp interfaces between different phases are separated by a narrow transition layers, and the kinetics and morphology evolution of phase separation would be characterized by an order parameter via Cahn–Hilliard equation which is solved in the frame work of LBE. The scalar convection–diffusion equation for temperature field is resolved by thermal LBE. The models are validated by thermal two layered Poiseuille flow, and two superimposed planar fluids at negligibly small Reynolds and Marangoni numbers for the thermocapillary driven convection, which have analytical solutions for the velocity and temperature. Then thermocapillary migration of two/three dimensional deformable droplet are simulated. Numerical results show that the predictions of present LBE agreed with the analytical solution/other numerical results. - Highlights: • A CSF LBE to thermocapillary flows. • Thermal layered Poiseuille flows. • Thermocapillary migration.
Continuous surface force based lattice Boltzmann equation method for simulating thermocapillary flow
International Nuclear Information System (INIS)
Zheng, Lin; Zheng, Song; Zhai, Qinglan
2016-01-01
In this paper, we extend a lattice Boltzmann equation (LBE) with continuous surface force (CSF) to simulate thermocapillary flows. The model is designed on our previous CSF LBE for athermal two phase flow, in which the interfacial tension forces and the Marangoni stresses as the results of the interface interactions between different phases are described by a conception of CSF. In this model, the sharp interfaces between different phases are separated by a narrow transition layers, and the kinetics and morphology evolution of phase separation would be characterized by an order parameter via Cahn–Hilliard equation which is solved in the frame work of LBE. The scalar convection–diffusion equation for temperature field is resolved by thermal LBE. The models are validated by thermal two layered Poiseuille flow, and two superimposed planar fluids at negligibly small Reynolds and Marangoni numbers for the thermocapillary driven convection, which have analytical solutions for the velocity and temperature. Then thermocapillary migration of two/three dimensional deformable droplet are simulated. Numerical results show that the predictions of present LBE agreed with the analytical solution/other numerical results. - Highlights: • A CSF LBE to thermocapillary flows. • Thermal layered Poiseuille flows. • Thermocapillary migration.
Verschaeve, Joris C G
2011-06-13
By means of the continuity equation of the incompressible Navier-Stokes equations, additional physical arguments for the derivation of a formulation of the no-slip boundary condition for the lattice Boltzmann method for straight walls at rest are obtained. This leads to a boundary condition that is second-order accurate with respect to the grid spacing and conserves mass. In addition, the boundary condition is stable for relaxation frequencies close to two.
Discrete Ordinates Approximations to the First- and Second-Order Radiation Transport Equations
Fan, W C; Powell, J L
2002-01-01
The conventional discrete ordinates approximation to the Boltzmann transport equation can be described in a matrix form. Specifically, the within-group scattering integral can be represented by three components: a moment-to-discrete matrix, a scattering cross-section matrix and a discrete-to-moment matrix. Using and extending these entities, we derive and summarize the matrix representations of the second-order transport equations.
Volume transport and generalized hydrodynamic equations for monatomic fluids.
Eu, Byung Chan
2008-10-07
In this paper, the effects of volume transport on the generalized hydrodynamic equations for a pure simple fluid are examined from the standpoint of statistical mechanics and, in particular, kinetic theory of fluids. First, we derive the generalized hydrodynamic equations, namely, the constitutive equations for the stress tensor and heat flux for a single-component monatomic fluid, from the generalized Boltzmann equation in the presence of volume transport. Then their linear steady-state solutions are derived and examined with regard to the effects of volume transport on them. The generalized hydrodynamic equations and linear constitutive relations obtained for nonconserved variables make it possible to assess Brenner's proposition [Physica A 349, 11 (2005); Physica A 349, 60 (2005)] for volume transport and attendant mass and volume velocities as well as the effects of volume transport on the Newtonian law of viscosity, compression/dilatation (bulk viscosity) phenomena, and Fourier's law of heat conduction. On the basis of study made, it is concluded that the notion of volume transport is sufficiently significant to retain in irreversible thermodynamics of fluids and fluid mechanics.
Asinari, Pietro
2010-10-01
The homogeneous isotropic Boltzmann equation (HIBE) is a fundamental dynamic model for many applications in thermodynamics, econophysics and sociodynamics. Despite recent hardware improvements, the solution of the Boltzmann equation remains extremely challenging from the computational point of view, in particular by deterministic methods (free of stochastic noise). This work aims to improve a deterministic direct method recently proposed [V.V. Aristov, Kluwer Academic Publishers, 2001] for solving the HIBE with a generic collisional kernel and, in particular, for taking care of the late dynamics of the relaxation towards the equilibrium. Essentially (a) the original problem is reformulated in terms of particle kinetic energy (exact particle number and energy conservation during microscopic collisions) and (b) the computation of the relaxation rates is improved by the DVM-like correction, where DVM stands for Discrete Velocity Model (ensuring that the macroscopic conservation laws are exactly satisfied). Both these corrections make possible to derive very accurate reference solutions for this test case. Moreover this work aims to distribute an open-source program (called HOMISBOLTZ), which can be redistributed and/or modified for dealing with different applications, under the terms of the GNU General Public License. The program has been purposely designed in order to be minimal, not only with regards to the reduced number of lines (less than 1000), but also with regards to the coding style (as simple as possible). Program summaryProgram title: HOMISBOLTZ Catalogue identifier: AEGN_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGN_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License No. of lines in distributed program, including test data, etc.: 23 340 No. of bytes in distributed program, including test data, etc.: 7 635 236 Distribution format: tar
Boltzmann-equation simulations of radio-frequency-driven, low-temperature plasmas
International Nuclear Information System (INIS)
Drallos, P.J.; Riley, M.E.
1995-01-01
We present a method for the numerical solution of the Boltzmann equation (BE) describing plasma electrons. We apply the method to a capacitively-coupled, radio-frequency-driven He discharge in parallel-plate (quasi-1D) geometry which contains time scales for physical processes spanning six orders of magnitude. Our BE solution procedure uses the method of characteristics for the Vlasov operator with interpolation in phase space at early time, allowing storage of the distribution function on a fixed phase-space grid. By alternating this BE method with a fluid description of the electrons, or with a novel time-cycle-average equation method, we compute the periodic steady state of a He plasma by time evolution from startup conditions. We find that the results compare favorably with measured current-voltage, plasma density, and ''cited state densities in the ''GEC'' Reference Cell. Our atomic He model includes five levels (some are summed composites), 15 electronic transitions, radiation trapping, and metastable-metastable collisions
International Nuclear Information System (INIS)
McGhee, J.M.; Roberts, R.M.; Morel, J.E.
1997-01-01
A spherical harmonics research code (DANTE) has been developed which is compatible with parallel computer architectures. DANTE provides 3-D, multi-material, deterministic, transport capabilities using an arbitrary finite element mesh. The linearized Boltzmann transport equation is solved in a second order self-adjoint form utilizing a Galerkin finite element spatial differencing scheme. The core solver utilizes a preconditioned conjugate gradient algorithm. Other distinguishing features of the code include options for discrete-ordinates and simplified spherical harmonics angular differencing, an exact Marshak boundary treatment for arbitrarily oriented boundary faces, in-line matrix construction techniques to minimize memory consumption, and an effective diffusion based preconditioner for scattering dominated problems. Algorithm efficiency is demonstrated for a massively parallel SIMD architecture (CM-5), and compatibility with MPP multiprocessor platforms or workstation clusters is anticipated
ADAPTIVE FINITE ELEMENT MODELING TECHNIQUES FOR THE POISSON-BOLTZMANN EQUATION
HOLST, MICHAEL; MCCAMMON, JAMES ANDREW; YU, ZEYUN; ZHOU, YOUNGCHENG; ZHU, YUNRONG
2011-01-01
We consider the design of an effective and reliable adaptive finite element method (AFEM) for the nonlinear Poisson-Boltzmann equation (PBE). We first examine the two-term regularization technique for the continuous problem recently proposed by Chen, Holst, and Xu based on the removal of the singular electrostatic potential inside biomolecules; this technique made possible the development of the first complete solution and approximation theory for the Poisson-Boltzmann equation, the first provably convergent discretization, and also allowed for the development of a provably convergent AFEM. However, in practical implementation, this two-term regularization exhibits numerical instability. Therefore, we examine a variation of this regularization technique which can be shown to be less susceptible to such instability. We establish a priori estimates and other basic results for the continuous regularized problem, as well as for Galerkin finite element approximations. We show that the new approach produces regularized continuous and discrete problems with the same mathematical advantages of the original regularization. We then design an AFEM scheme for the new regularized problem, and show that the resulting AFEM scheme is accurate and reliable, by proving a contraction result for the error. This result, which is one of the first results of this type for nonlinear elliptic problems, is based on using continuous and discrete a priori L∞ estimates to establish quasi-orthogonality. To provide a high-quality geometric model as input to the AFEM algorithm, we also describe a class of feature-preserving adaptive mesh generation algorithms designed specifically for constructing meshes of biomolecular structures, based on the intrinsic local structure tensor of the molecular surface. All of the algorithms described in the article are implemented in the Finite Element Toolkit (FETK), developed and maintained at UCSD. The stability advantages of the new regularization scheme
Transport equation and shock waves
International Nuclear Information System (INIS)
Besnard, D.
1981-04-01
A multi-group method is derived from a one dimensional transport equation for the slowing down and spatial transport of energetic positive ions in a plasma. This method is used to calculate the behaviour of energetic charged particles in non homogeneous and non stationary plasma, and the effect of energy deposition of the particles on the heating of the plasma. In that purpose, an equation for the density of fast ions is obtained from the Fokker-Planck equation, and a closure condition for the second moment of this equation is deduced from phenomenological considerations. This method leads to a numerical method, simple and very efficient, which doesn't require much computer storage. Two types of numerical results are obtained. First, results on the slowing down of 3.5 MeV alpha particles in a 50 keV plasma plublished by Corman and al and Moses are compared with the results obtained with both our method and a Monte Carlo type method. Good agreement was obtained, even for energy deposition on the ions of the plasma. Secondly, we have calculated propagation of alpha particles heating a cold plasma. These results are in very good agreement with those given by an accurate Monte Carlo method, for both the thermal velocity, and the energy deposition in the plasma
Computations of ion diffusion coefficients from the Boltzmann-Fokker-Planck equation
Roussel-Dupre, R.
1981-01-01
The Boltzmann-Fokker-Planck equation is solved with the Chapman-Enskog method of analysis for the velocity distribution functions of helium, carbon, nitrogen, and oxygen. The analysis is a perturbation scheme based on the assumption of a collision-dominated gas, and the calculations are carried out to first order. The elements considered are treated as trace constituents in an electron-proton gas. From the resulting distribution functions, diffusion coefficients are computed which are found to be 20-30% less than those obtained by Chapman and Burgers. In addition, it is shown that the return current of cold electrons needed to maintain quasi-neutrality in a plasma with a temperature gradient contributes a term in the thermal diffusion coefficient omitted erroneously in previous works. This added term resolves the longstanding controversy over the discrepancy between the coefficients of Chapman and Burgers, which are seen to be completely equivalent in the light of this analysis. The viscosity coefficient for an electron-proton gas is also computed and found to be 7% less than that obtained by Braginskii.
pK(A) in proteins solving the Poisson-Boltzmann equation with finite elements.
Sakalli, Ilkay; Knapp, Ernst-Walter
2015-11-05
Knowledge on pK(A) values is an eminent factor to understand the function of proteins in living systems. We present a novel approach demonstrating that the finite element (FE) method of solving the linearized Poisson-Boltzmann equation (lPBE) can successfully be used to compute pK(A) values in proteins with high accuracy as a possible replacement to finite difference (FD) method. For this purpose, we implemented the software molecular Finite Element Solver (mFES) in the framework of the Karlsberg+ program to compute pK(A) values. This work focuses on a comparison between pK(A) computations obtained with the well-established FD method and with the new developed FE method mFES, solving the lPBE using protein crystal structures without conformational changes. Accurate and coarse model systems are set up with mFES using a similar number of unknowns compared with the FD method. Our FE method delivers results for computations of pK(A) values and interaction energies of titratable groups, which are comparable in accuracy. We introduce different thermodynamic cycles to evaluate pK(A) values and we show for the FE method how different parameters influence the accuracy of computed pK(A) values. © 2015 Wiley Periodicals, Inc.
Numerical solutions of the semiclassical Boltzmann ellipsoidal-statistical kinetic model equation
Yang, Jaw-Yen; Yan, Chin-Yuan; Huang, Juan-Chen; Li, Zhihui
2014-01-01
Computations of rarefied gas dynamical flows governed by the semiclassical Boltzmann ellipsoidal-statistical (ES) kinetic model equation using an accurate numerical method are presented. The semiclassical ES model was derived through the maximum entropy principle and conserves not only the mass, momentum and energy, but also contains additional higher order moments that differ from the standard quantum distributions. A different decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. The numerical method in phase space combines the discrete-ordinate method in momentum space and the high-resolution shock capturing method in physical space. Numerical solutions of two-dimensional Riemann problems for two configurations covering various degrees of rarefaction are presented and various contours of the quantities unique to this new model are illustrated. When the relaxation time becomes very small, the main flow features a display similar to that of ideal quantum gas dynamics, and the present solutions are found to be consistent with existing calculations for classical gas. The effect of a parameter that permits an adjustable Prandtl number in the flow is also studied. PMID:25104904
Energy Technology Data Exchange (ETDEWEB)
Alves, L.L.; Gousset, G.; Ferreira, C.M. [Centro de Electrodinamica, Instituto Superior Tecnico, 1096 Lisboa Codex (Portugal)]|[Laboratoire de Physique des Gaz et des Plasmas, Universite de Paris-Sud, 91405 Orsay Cedex (France)
1997-01-01
In this paper we develop a {ital self-contained formulation} to solve the steady-state spatially inhomogeneous electron Boltzmann equation (EBE) in a plasma positive column, taking into account the spatial gradient and the space-charge field terms. The problem is solved in cylindrical geometry using the classical two-term approximation, with appropriate boundary conditions for the electron velocity distribution function, especially at the tube wall. A condition for the microscopic radial flux of electrons at the wall is deduced, and a detailed analysis of some limiting situations is carried out. The present formulation is {ital self-contained} in the sense that the electron particle balance equation is exactly satisfied, that is, the ionization rate exactly compensates for the electron loss rate to the wall. This condition yields a relationship between the applied maintaining field and the gas pressure, termed the {ital discharge characteristic}, which is obtained as an {ital eigenvalue solution} to the problem. By solving the EBE we directly obtain the isotropic and the anisotropic components of the electron distribution function (EDF), from which we deduce the radial distributions of all relevant macroscopic quantities: electron density, electron transport parameters and rate coefficients for excitation and ionization, and electron power transfer. The results show that the values of these quantities across the discharge are lower than those calculated for a homogeneous situation, due to the loss of electrons to the wall. The solutions for the EDF reveal that, for sufficiently low maintaining fields, the radial anisotropy at some radial positions can be negative, that is, directed toward the discharge axis, for energies above a {ital collisional barrier} around the inelastic thresholds. However, at the wall, the radial anisotropy always points to the wall, due to the strong electron drain occuring in this region. (Abstract Truncated)
International Nuclear Information System (INIS)
Li, Zhihui; Ma, Qiang; Wu, Junlin; Jiang, Xinyu; Zhang, Hanxin
2014-01-01
Based on the Gas-Kinetic Unified Algorithm (GKUA) directly solving the Boltzmann model equation, the effect of rotational non-equilibrium is investigated recurring to the kinetic Rykov model with relaxation property of rotational degrees of freedom. The spin movement of diatomic molecule is described by moment of inertia, and the conservation of total angle momentum is taken as a new Boltzmann collision invariant. The molecular velocity distribution function is integrated by the weight factor on the internal energy, and the closed system of two kinetic controlling equations is obtained with inelastic and elastic collisions. The optimization selection technique of discrete velocity ordinate points and numerical quadrature rules for macroscopic flow variables with dynamic updating evolvement are developed to simulate hypersonic flows, and the gas-kinetic numerical scheme is constructed to capture the time evolution of the discretized velocity distribution functions. The gas-kinetic boundary conditions in thermodynamic non-equilibrium and numerical procedures are studied and implemented by directly acting on the velocity distribution function, and then the unified algorithm of Boltzmann model equation involving non-equilibrium effect is presented for the whole range of flow regimes. The hypersonic flows involving non-equilibrium effect are numerically simulated including the inner flows of shock wave structures in nitrogen with different Mach numbers of 1.5-Ma-25, the planar ramp flow with the whole range of Knudsen numbers of 0.0009-Kn-10 and the three-dimensional re-entering flows around tine double-cone body
Energy Technology Data Exchange (ETDEWEB)
Borges, P. D., E-mail: pdborges@gmail.com, E-mail: lscolfaro@txstate.edu; Scolfaro, L., E-mail: pdborges@gmail.com, E-mail: lscolfaro@txstate.edu [Department of Physics, Texas State University, San Marcos, Texas 78666 (United States)
2014-12-14
The thermoelectric properties of indium nitride in the most stable wurtzite phase (w-InN) as a function of electron and hole concentrations and temperature were studied by solving the semiclassical Boltzmann transport equations in conjunction with ab initio electronic structure calculations, within Density Functional Theory. Based on maximally localized Wannier function basis set and the ab initio band energies, results for the Seebeck coefficient are presented and compared with available experimental data for n-type as well as p-type systems. Also, theoretical results for electric conductivity and power factor are presented. Most cases showed good agreement between the calculated properties and experimental data for w-InN unintentionally and p-type doped with magnesium. Our predictions for temperature and concentration dependences of electrical conductivity and power factor revealed a promising use of InN for intermediate and high temperature thermoelectric applications. The rigid band approach and constant scattering time approximation were utilized in the calculations.
On the transparent conducting oxide Al doped ZnO: First Principles and Boltzmann equations study
Energy Technology Data Exchange (ETDEWEB)
Slassi, A. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco); Naji, S. [LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco); Department of Physics, Faculty of Science, Ibb University, Ibb (Yemen); Benyoussef, A. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco); Hamedoun, M., E-mail: hamedoun@hotmail.com [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); El Kenz, A. [LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco)
2014-08-25
Highlights: • The incorporation of Al in ZnO increases the optical band edge absorption. • Incorporated Al creates shallow donor states of Al-3s around Fermi level. • Transmittance decreases in the visible and IR regions, while it increases in the UV region. • Electrical conductivity increases and reaches almost the saturation for high concentration of Al. - Abstract: We report, in this work, a theoretical study on the electronic, optical and electrical properties of pure and Al doped ZnO with different concentrations. In fact, we investigate these properties using both First Principles calculations within TB-mBJ approximation and Boltzmann equations under the constant relaxation time approximation for charge carriers. It is found out that, the calculated lattice parameters and the optical band gap of pure ZnO are close to the experimental values and in a good agreement with the other theoretical studies. It is also observed that, the incorporations of Al in ZnO increase the optical band edge absorption which leads to a blue shift and no deep impurities levels are induced in the band gap as well. More precisely, these incorporations create shallow donor states around Fermi level in the conduction band minimum from mainly Al-3s orbital. Beside this, it is found that, the transmittance is decreased in the visible and IR regions, while it is significantly improved in UV region. Finally, our calculations show that the electrical conductivity is enhanced as a result of Al doping and it reaches almost the saturation for high concentration of Al. These features make Al doped ZnO a transparent conducting electrode for optoelectronic device applications.
Xie, Yang; Ying, Jinyong; Xie, Dexuan
2017-03-30
SMPBS (Size Modified Poisson-Boltzmann Solvers) is a web server for computing biomolecular electrostatics using finite element solvers of the size modified Poisson-Boltzmann equation (SMPBE). SMPBE not only reflects ionic size effects but also includes the classic Poisson-Boltzmann equation (PBE) as a special case. Thus, its web server is expected to have a broader range of applications than a PBE web server. SMPBS is designed with a dynamic, mobile-friendly user interface, and features easily accessible help text, asynchronous data submission, and an interactive, hardware-accelerated molecular visualization viewer based on the 3Dmol.js library. In particular, the viewer allows computed electrostatics to be directly mapped onto an irregular triangular mesh of a molecular surface. Due to this functionality and the fast SMPBE finite element solvers, the web server is very efficient in the calculation and visualization of electrostatics. In addition, SMPBE is reconstructed using a new objective electrostatic free energy, clearly showing that the electrostatics and ionic concentrations predicted by SMPBE are optimal in the sense of minimizing the objective electrostatic free energy. SMPBS is available at the URL: smpbs.math.uwm.edu © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Relativistic Boltzmann theory for a plasma
International Nuclear Information System (INIS)
Erkelens, H. van.
1984-01-01
This thesis gives a self-contained treatment of the relativistic Boltzmann theory for a plasma. Here plasma means any mixture containing electrically charged particles. The relativistic Boltzmann equation is linearized for the case of a plasma. The Chapman-Enskog method is elaborated further for transport phenomena. Linear laws for viscous phenomena are derived. Then the collision term in the Boltzmann theory is dealt with. Using the transport equation, a kinetic theory of wave phenomena is developed and the dissipation of hydromagnetic waves in a relativistic plasma is investigated. In the final chapter, it is demonstrated how the relativistic Boltzmann theory can be applied in cosmology. In doing so, expressions are derived for the electric conductivity of the cosmological plasma in the lepton era, the plasma era and the annihilation era. (Auth.)
Lattice Boltzmann equation calculation of internal, pressure-driven turbulent flow
International Nuclear Information System (INIS)
Hammond, L A; Halliday, I; Care, C M; Stevens, A
2002-01-01
We describe a mixing-length extension of the lattice Boltzmann approach to the simulation of an incompressible liquid in turbulent flow. The method uses a simple, adaptable, closure algorithm to bound the lattice Boltzmann fluid incorporating a law-of-the-wall. The test application, of an internal, pressure-driven and smooth duct flow, recovers correct velocity profiles for Reynolds number to 1.25 x 10 5 . In addition, the Reynolds number dependence of the friction factor in the smooth-wall branch of the Moody chart is correctly recovered. The method promises a straightforward extension to other curves of the Moody chart and to cylindrical pipe flow
The transport equation for cosmic rays
International Nuclear Information System (INIS)
Henning, J.J.
1980-03-01
The transport equation for charged particles in a moving irregular magnetic field is derived in the dipole approximation. The contribution of Parker's spiral field for the transport equation is shown to be more than just a drift velocity or a divergence of an antisymmetric diffusion tensor. Without solving the transport equations these results are shown to give better agreement with experimental densities of cosmic rays in the interplanetary space [af
Lattice Boltzmann modeling of transport phenomena in fuel cells and flow batteries
Xu, Ao; Shyy, Wei; Zhao, Tianshou
2017-06-01
Fuel cells and flow batteries are promising technologies to address climate change and air pollution problems. An understanding of the complex multiscale and multiphysics transport phenomena occurring in these electrochemical systems requires powerful numerical tools. Over the past decades, the lattice Boltzmann (LB) method has attracted broad interest in the computational fluid dynamics and the numerical heat transfer communities, primarily due to its kinetic nature making it appropriate for modeling complex multiphase transport phenomena. More importantly, the LB method fits well with parallel computing due to its locality feature, which is required for large-scale engineering applications. In this article, we review the LB method for gas-liquid two-phase flows, coupled fluid flow and mass transport in porous media, and particulate flows. Examples of applications are provided in fuel cells and flow batteries. Further developments of the LB method are also outlined.
Gray free-energy multiphase lattice Boltzmann model with effective transport and wetting properties
Zalzale, Mohamad; Ramaioli, M.; Scrivener, K. L.; McDonald, P. J.
2016-11-01
The paper shows that it is possible to combine the free-energy lattice Boltzmann approach to multiphase modeling of fluids involving both liquid and vapor with the partial bounce back lattice Boltzmann approach to modeling effective media. Effective media models are designed to mimic the properties of porous materials with porosity much finer than the scale of the simulation lattice. In the partial bounce-back approach, an effective media parameter or bounce-back fraction controls fluid transport. In the combined model, a wetting potential is additionally introduced that controls the wetting properties of the fluid with respect to interfaces between free space (white nodes), effective media (gray nodes), and solids (black nodes). The use of the wetting potential combined with the bounce-back parameter gives the model the ability to simulate transport and sorption of a wide range of fluid in material systems. Results for phase separation, permeability, contact angle, and wicking in gray media are shown. Sorption is explored in small sections of model multiscale porous systems to demonstrate two-step desorption, sorption hysteresis, and the ink-bottle effect.
International Nuclear Information System (INIS)
Mynick, H.E.
1989-05-01
The transport equations arising from the ''generalized Balescu- Lenard'' (gBL) collision operator are obtained, and some of their properties examined. The equations contain neoclassical and turbulent transport as two special cases, having the same structure. The resultant theory offers potential explanation for a number of results not well understood, including the anomalous pinch, observed ratios of Q/ΓT on TFTR, and numerical reproduction of ASDEX profiles by a model for turbulent transport invoked without derivation, but by analogy to neoclassical theory. The general equations are specialized to consideration of a number of particular transport mechanisms of interest. 10 refs
International Nuclear Information System (INIS)
Ganjaei, A. A.; Nourazar, S. S.
2009-01-01
A new algorithm, the modified direct simulation Monte-Carlo (MDSMC) method, for the simulation of Couette- Taylor gas flow problem is developed. The Taylor series expansion is used to obtain the modified equation of the first order time discretization of the collision equation and the new algorithm, MDSMC, is implemented to simulate the collision equation in the Boltzmann equation. In the new algorithm (MDSMC) there exists a new extra term which takes in to account the effect of the second order collision. This new extra term has the effect of enhancing the appearance of the first Taylor instabilities of vortices streamlines. In the new algorithm (MDSMC) there also exists a second order term in time step in the probabilistic coefficients which has the effect of simulation with higher accuracy than the previous DSMC algorithm. The appearance of the first Taylor instabilities of vortices streamlines using the MDSMC algorithm at different ratios of ω/ν (experimental data of Taylor) occurred at less time-step than using the DSMC algorithm. The results of the torque developed on the stationary cylinder using the MDSMC algorithm show better agreement in comparison with the experimental data of Kuhlthau than the results of the torque developed on the stationary cylinder using the DSMC algorithm
Kanazawa, Kiyoshi; Sueshige, Takumi; Takayasu, Hideki; Takayasu, Misako
2018-03-01
A microscopic model is established for financial Brownian motion from the direct observation of the dynamics of high-frequency traders (HFTs) in a foreign exchange market. Furthermore, a theoretical framework parallel to molecular kinetic theory is developed for the systematic description of the financial market from microscopic dynamics of HFTs. We report first on a microscopic empirical law of traders' trend-following behavior by tracking the trajectories of all individuals, which quantifies the collective motion of HFTs but has not been captured in conventional order-book models. We next introduce the corresponding microscopic model of HFTs and present its theoretical solution paralleling molecular kinetic theory: Boltzmann-like and Langevin-like equations are derived from the microscopic dynamics via the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy. Our model is the first microscopic model that has been directly validated through data analysis of the microscopic dynamics, exhibiting quantitative agreements with mesoscopic and macroscopic empirical results.
Xiong, Yuan
2014-04-28
Spurious current emerging in the vicinity of phase interfaces is a well-known disadvantage of the lattice Boltzmann equation (LBE) for two-phase flows. Previous analysis shows that this unphysical phenomenon comes from the force imbalance at discrete level inherited in LBE (Guo et al 2011 Phys. Rev. E 83 036707). Based on the analysis of the LBE free of checkerboard effects, in this work we further show that the force imbalance is caused by the different discretization stencils: the implicit one from the streaming process and the explicit one from the discretization of the force term. Particularly, the total contribution includes two parts, one from the difference between the intrinsically discretized density (or ideal gas pressure) gradient and the explicit ones in the force term, and the other from the explicit discretized chemical potential gradients in the intrinsically discretized force term. The former contribution is a special feature of LBE which was not realized previously.
International Nuclear Information System (INIS)
Niegawa, A.
2003-01-01
We construct perturbative frameworks for studying nonequilibrium spin-polarized quark matter. We employ the closed-time-path formalism and use the gradient approximation in derivative expansion. After constructing self-energy-part resummed quark and gluon propagators, we formulate two kinds of mutually equivalent perturbative frameworks: The first one is formulated on the basis of the initial-particle distribution function, and the second one is formulated on the basis of a 'physical' particle distribution function. In the course of the construction of the second framework, the generalized Boltzmann equations and their relatives directly come out, which describe the evolution of the system. The frameworks are relevant to the study of a magnetic character of quark matter, e.g., possible quark stars
Li, Yunqi; Zhao, Qin; Huang, Qingrong
2014-01-30
A combination of turbidimetric titration, a sigmoidal Boltzmann equation approach and Monte Carlo simulation has been used to study the complex coacervation in serum albumin and pectin mixtures. The effects of the mass ratio of protein to polysaccharide on the critical pH values, the probability of complex coacervation and the electrostatic interaction from charge patches in serum albumin were investigated. Turbidimetric titration results showed an optimum pH for complex coacervation (pHm), which corresponded to the maximum turbidity in the protein/polysaccharide mixture. The pHm monotonically decreased as the ratio decreased, and could be fitted using the sigmoidal Boltzmann equation. It suggests that pHm could be a good ordering parameter to characterize the phase behavior associated with protein/polysaccharide complex coacervation. Qualitative understanding of pHm by taking into account the minimization of electrostatic interaction, as well as quantitative matching of pHm according to the concept of charge neutralization were both achieved. Our results suggest that the serum albumin/pectin complexes were ultimately neutralized by the partial charges originated from the titratable residues in protein and polysaccharide chains at pHm. The Monte Carlo simulation provided consistent phase boundaries for complex coacervation in the same system, and the intermolecular association strength was determined to be several kBT below the given ionic strength. The strongest binding site in the protein is convergent to the largest positive charge patch if pure electrostatic interaction was considered. Further inclusion of contribution from excluded volume resulted in the binding site distribution over five different positive charge patches at different protein/polysaccharide ratios and pH values. Copyright © 2013 Elsevier Ltd. All rights reserved.
Simulation of transport equations with Monte Carlo
International Nuclear Information System (INIS)
Matthes, W.
1975-09-01
The main purpose of the report is to explain the relation between the transport equation and the Monte Carlo game used for its solution. The introduction of artificial particles carrying a weight provides one with high flexibility in constructing many different games for the solution of the same equation. This flexibility opens a way to construct a Monte Carlo game for the solution of the adjoint transport equation. Emphasis is laid mostly on giving a clear understanding of what to do and not on the details of how to do a specific game
Wu, Tao; Deng, Kaiming; Deng, Wei-Qiao; Lu, Ruifeng
2017-09-19
BNCX monolayer as a kind of two-dimensional material has numerous chemical atomic ratios and arrangements with different electronic structures. Via calculations on the basis of density functional theory and Boltzmann transport theory under deformation potential approximation, the band structures and carrier mobilities of BNCX (x=1,2,3,4) nanosheets are systematically investigated. The calculated results show that BNC2-1 is a material with very small band gap (0.02 eV) among all the structures while other BNCX monolayers are semiconductors with band gap ranging from 0.51 to 1.32 eV. The carrier mobility of BNCX varies considerably from tens to millions of cm2 V-1 s-1. For BNC2-1, the hole mobility and electron mobility along both x and y directions can reach 105 orders of magnitude, which is similar to the carrier mobility of graphene. Besides, all studied BNCX monolayers obviously have anisotropic hole mobility and electron mobility. In particular, for semiconductor BNC4, its hole mobility along y direction and electron mobility along x direction unexpectedly reach 106 orders of magnitude, even higher than that of graphene. Our findings suggest that BNCX layered materials with proper ratio and arrangement of carbon atoms will possess desirable charge transport properties, exhibiting potential applications in nanoelectronic devices. © 2017 IOP Publishing Ltd.
The radiative transport equation in flatland with separation of variables
Energy Technology Data Exchange (ETDEWEB)
Machida, Manabu, E-mail: mmachida@ms.u-tokyo.ac.jp [Department of Mathematical Sciences, The University of Tokyo, Komaba, Meguro, Tokyo 153-8914 (Japan)
2016-07-15
The linear Boltzmann equation can be solved with separation of variables in one dimension, i.e., in three-dimensional space with planar symmetry. In this method, solutions are given by superpositions of eigenmodes which are sometimes called singular eigenfunctions. In this paper, we explore the singular-eigenfunction approach in flatland or two-dimensional space.
The radiative transport equation in flatland with separation of variables
Machida, Manabu
2016-07-01
The linear Boltzmann equation can be solved with separation of variables in one dimension, i.e., in three-dimensional space with planar symmetry. In this method, solutions are given by superpositions of eigenmodes which are sometimes called singular eigenfunctions. In this paper, we explore the singular-eigenfunction approach in flatland or two-dimensional space.
Adaptive integral equation methods in transport theory
International Nuclear Information System (INIS)
Kelley, C.T.
1992-01-01
In this paper, an adaptive multilevel algorithm for integral equations is described that has been developed with the Chandrasekhar H equation and its generalizations in mind. The algorithm maintains good performance when the Frechet derivative of the nonlinear map is singular at the solution, as happens in radiative transfer with conservative scattering and in critical neutron transport. Numerical examples that demonstrate the algorithm's effectiveness are presented
A method for solving neutron transport equation
International Nuclear Information System (INIS)
Dimitrijevic, Z.
1993-01-01
The procedure for solving the transport equation by directly integrating for case one-dimensional uniform multigroup medium is shown. The solution is expressed in terms of linear combination of function H n (x,μ), and the coefficient is determined from given conditions. The solution is applied for homogeneous slab of critical thickness. (author)
The transport equation in general geometry
International Nuclear Information System (INIS)
Pomraning, G.C.
1990-01-01
As stated in the introduction to the paper, the motivation for this work was to obtain an explicit form for the streaming operator in the transport equation, which could be used to compute curvature effects in an asymptotic analysis leading to diffusion theory. This sign error was discovered while performing this analysis
Range of validity of transport equations
International Nuclear Information System (INIS)
Berges, Juergen; Borsanyi, Szabolcs
2006-01-01
Transport equations can be derived from quantum field theory assuming a loss of information about the details of the initial state and a gradient expansion. While the latter can be systematically improved, the assumption about a memory loss is not known to be controlled by a small expansion parameter. We determine the range of validity of transport equations for the example of a scalar g 2 Φ 4 theory. We solve the nonequilibrium time evolution using the three-loop 2PI effective action. The approximation includes off-shell and memory effects and assumes no gradient expansion. This is compared to transport equations to lowest order (LO) and beyond (NLO). We find that the earliest time for the validity of transport equations is set by the characteristic relaxation time scale t damp =-2ω/Σ ρ (eq) , where -Σ ρ (eq) /2 denotes the on-shell imaginary-part of the self-energy. This time scale agrees with the characteristic time for partial memory loss, but is much shorter than thermal equilibration times. For times larger than about t damp the gradient expansion to NLO is found to describe the full results rather well for g 2 (less-or-similar sign)1
Hu, Kainan; Zhang, Hongwu; Geng, Shaojuan
2016-10-01
A decoupled scheme based on the Hermite expansion to construct lattice Boltzmann models for the compressible Navier-Stokes equations with arbitrary specific heat ratio is proposed. The local equilibrium distribution function including the rotational velocity of particle is decoupled into two parts, i.e., the local equilibrium distribution function of the translational velocity of particle and that of the rotational velocity of particle. From these two local equilibrium functions, two lattice Boltzmann models are derived via the Hermite expansion, namely one is in relation to the translational velocity and the other is connected with the rotational velocity. Accordingly, the distribution function is also decoupled. After this, the evolution equation is decoupled into the evolution equation of the translational velocity and that of the rotational velocity. The two evolution equations evolve separately. The lattice Boltzmann models used in the scheme proposed by this work are constructed via the Hermite expansion, so it is easy to construct new schemes of higher-order accuracy. To validate the proposed scheme, a one-dimensional shock tube simulation is performed. The numerical results agree with the analytical solutions very well.
Eu, Byung Chan
2008-09-07
In the traditional theories of irreversible thermodynamics and fluid mechanics, the specific volume and molar volume have been interchangeably used for pure fluids, but in this work we show that they should be distinguished from each other and given distinctive statistical mechanical representations. In this paper, we present a general formula for the statistical mechanical representation of molecular domain (volume or space) by using the Voronoi volume and its mean value that may be regarded as molar domain (volume) and also the statistical mechanical representation of volume flux. By using their statistical mechanical formulas, the evolution equations of volume transport are derived from the generalized Boltzmann equation of fluids. Approximate solutions of the evolution equations of volume transport provides kinetic theory formulas for the molecular domain, the constitutive equations for molar domain (volume) and volume flux, and the dissipation of energy associated with volume transport. Together with the constitutive equation for the mean velocity of the fluid obtained in a previous paper, the evolution equations for volume transport not only shed a fresh light on, and insight into, irreversible phenomena in fluids but also can be applied to study fluid flow problems in a manner hitherto unavailable in fluid dynamics and irreversible thermodynamics. Their roles in the generalized hydrodynamics will be considered in the sequel.
Zhakhovsky, Vasily V; Kryukov, Alexei P; Levashov, Vladimir Yu; Shishkova, Irina N; Anisimov, Sergey I
2018-04-16
Boundary conditions required for numerical solution of the Boltzmann kinetic equation (BKE) for mass/heat transfer between evaporation and condensation surfaces are analyzed by comparison of BKE results with molecular dynamics (MD) simulations. Lennard-Jones potential with parameters corresponding to solid argon is used to simulate evaporation from the hot side, nonequilibrium vapor flow with a Knudsen number of about 0.02, and condensation on the cold side of the condensed phase. The equilibrium density of vapor obtained in MD simulation of phase coexistence is used in BKE calculations for consistency of BKE results with MD data. The collision cross-section is also adjusted to provide a thermal flux in vapor identical to that in MD. Our MD simulations of evaporation toward a nonreflective absorbing boundary show that the velocity distribution function (VDF) of evaporated atoms has the nearly semi-Maxwellian shape because the binding energy of atoms evaporated from the interphase layer between bulk phase and vapor is much smaller than the cohesive energy in the condensed phase. Indeed, the calculated temperature and density profiles within the interphase layer indicate that the averaged kinetic energy of atoms remains near-constant with decreasing density almost until the interphase edge. Using consistent BKE and MD methods, the profiles of gas density, mass velocity, and temperatures together with VDFs in a gap of many mean free paths between the evaporation and condensation surfaces are obtained and compared. We demonstrate that the best fit of BKE results with MD simulations can be achieved with the evaporation and condensation coefficients both close to unity.
Yin, Huicheng; Zhao, Wenbin
2018-01-01
This paper is a continuation of the works in [35] and [37], where the authors have established the global existence of smooth compressible flows in infinitely expanding balls for inviscid gases and viscid gases, respectively. In this paper, we are concerned with the global existence and large time behavior of compressible Boltzmann gases in an infinitely expanding ball. Such a problem is one of the interesting models in studying the theory of global smooth solutions to multidimensional compressible gases with time dependent boundaries and vacuum states at infinite time. Due to the conservation of mass, the fluid in the expanding ball becomes rarefied and eventually tends to a vacuum state meanwhile there are no appearances of vacuum domains in any part of the expansive ball, which is easily observed in finite time. In the present paper, we will confirm this physical phenomenon for the Boltzmann equation by obtaining the exact lower and upper bound on the macroscopic density function.
Maximal stochastic transport in the Lorenz equations
Energy Technology Data Exchange (ETDEWEB)
Agarwal, Sahil, E-mail: sahil.agarwal@yale.edu [Program in Applied Mathematics, Yale University, New Haven (United States); Wettlaufer, J.S., E-mail: john.wettlaufer@yale.edu [Program in Applied Mathematics, Yale University, New Haven (United States); Departments of Geology & Geophysics, Mathematics and Physics, Yale University, New Haven (United States); Mathematical Institute, University of Oxford, Oxford (United Kingdom); Nordita, Royal Institute of Technology and Stockholm University, Stockholm (Sweden)
2016-01-08
We calculate the stochastic upper bounds for the Lorenz equations using an extension of the background method. In analogy with Rayleigh–Bénard convection the upper bounds are for heat transport versus Rayleigh number. As might be expected, the stochastic upper bounds are larger than the deterministic counterpart of Souza and Doering [1], but their variation with noise amplitude exhibits interesting behavior. Below the transition to chaotic dynamics the upper bounds increase monotonically with noise amplitude. However, in the chaotic regime this monotonicity depends on the number of realizations in the ensemble; at a particular Rayleigh number the bound may increase or decrease with noise amplitude. The origin of this behavior is the coupling between the noise and unstable periodic orbits, the degree of which depends on the degree to which the ensemble represents the ergodic set. This is confirmed by examining the close returns plots of the full solutions to the stochastic equations and the numerical convergence of the noise correlations. The numerical convergence of both the ensemble and time averages of the noise correlations is sufficiently slow that it is the limiting aspect of the realization of these bounds. Finally, we note that the full solutions of the stochastic equations demonstrate that the effect of noise is equivalent to the effect of chaos.
Kang, Q.; Chen, L.
2014-12-01
Although short-term production of unconventional gas depends on the area of contact created by hydraulic fracturing and connections with pre-existing natural fracture networks, sustainable recovery is limited by transfer of gas from nanoporous matrix into the fractures, because the permeability of hydraulic fractures is orders of magnitude higher than that of the shale matrix. Therefore, a fundamental understanding of hydrocarbon mobility in shale matrix is urgently needed for improving recovery efficiencies. Shale transport properties (diffusivity, permeability, and electronic conductivity), which are critical for understanding the fundamental transport mechanisms, are still poorly understood. There have been some studies using experimental techniques such as scanning electron microscopy (SEM) to visualize the nanoscale structures of shale. Due to the ultra-low porosity and permeability, it is difficult to experimentally investigate the fundamental transport processes inside the shale or accurately measure the transport properties. Advanced pore-scale numerical methods, e.g., the lattice Boltzman method (LBM) may provide an alternative approach. In the present study, three-dimensional nanoscale porous structures of shale are reconstructed based on SEM images of shale samples. Characterization analysis of the nanoscale reconstructed shale is performed, including determination of porosity, pore size distribution, specific surface area, and pore connectivity. The LBM flow model and diffusion model are adopted to simulate fluid flow and Knudsen diffusion in the reconstructed shale, respectively. Tortuosity, intrinsic permeability, and effective Knudsen diffusivity are numerically predicted. The tortuosity is much higher than what is commonly employed in Bruggeman equation. Correction of the intrinsic permeability by taking into consideration the contribution of Knudsen diffusion, which leads to the apparent permeability, is performed. The correction factor under
Bethe-Boltzmann hydrodynamics and spin transport in the XXZ chain
Bulchandani, Vir B.; Vasseur, Romain; Karrasch, Christoph; Moore, Joel E.
2018-01-01
Quantum integrable systems, such as the interacting Bose gas in one dimension and the XXZ quantum spin chain, have an extensive number of local conserved quantities that endow them with exotic thermalization and transport properties. We discuss recently introduced hydrodynamic approaches for such integrable systems from the viewpoint of kinetic theory and extend the previous works by proposing a numerical scheme to solve the hydrodynamic equations for finite times and arbitrary locally equilibrated initial conditions. We then discuss how such methods can be applied to describe nonequilibrium steady states involving ballistic heat and spin currents. In particular, we show that the spin Drude weight in the XXZ chain, previously accessible only by rigorous techniques of limited scope or controversial thermodynamic Bethe ansatz arguments, may be evaluated from hydrodynamics in very good agreement with density-matrix renormalization group calculations.
Normal and adjoint integral and integrodifferential neutron transport equations. Pt. 1
International Nuclear Information System (INIS)
Velarde, G.
1976-01-01
Using some simplifying hypotheses, different expressions of the Boltzmann integrodifferential equation are obtained. Posteriorly, they are applied to some particular cases: slowing down, thermalization, multigroups, critical reactors and virtual critical reactors with k, α and lambda. (author)
International Nuclear Information System (INIS)
Roy, Fabrice
2004-01-01
We study the formation of self-gravitating systems and their properties by means of N-body simulations of gravitational collapse. First, we summarize the major analytical results concerning the collisionless Boltzmann equation and the Poisson's equation which describe the dynamics of collisionless gravitational systems. We present a study of some analytical solutions of this coupled system of equations. We then present the software used to perform the simulations. Some of this has been parallelized and implemented with the aid of MPI. For this reason we give a brief overview of it. Finally, we present the results of the numerical simulations. Analysis of these results allows us to explain some features of self-gravitating systems and the initial conditions needed to trigger the Antonov instability and the radial orbit instability. (author) [fr
Lattice Boltzmann method with the cell-population equilibrium
International Nuclear Information System (INIS)
Zhou Xiaoyang; Cheng Bing; Shi Baochang
2008-01-01
The central problem of the lattice Boltzmann method (LBM) is to construct a discrete equilibrium. In this paper, a multi-speed 1D cell-model of Boltzmann equation is proposed, in which the cell-population equilibrium, a direct non-negative approximation to the continuous Maxwellian distribution, plays an important part. By applying the explicit one-order Chapman–Enskog distribution, the model reduces the transportation and collision, two basic evolution steps in LBM, to the transportation of the non-equilibrium distribution. Furthermore, 1D dam-break problem is performed and the numerical results agree well with the analytic solutions
Energy Technology Data Exchange (ETDEWEB)
Mendes, Albert C.R., E-mail: albert@fisica.ufjf.br [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil); Takakura, Flavio I., E-mail: takakura@fisica.ufjf.br [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil); Abreu, Everton M.C., E-mail: evertonabreu@ufrrj.br [Grupo de Física Teórica e Matemática Física, Departamento de Física, Universidade Federal Rural do Rio de Janeiro, 23890-971, Seropédica - RJ (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil); Neto, Jorge Ananias, E-mail: jorge@fisica.ufjf.br [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil)
2017-05-15
In this work we have obtained a higher-derivative Lagrangian for a charged fluid coupled with the electromagnetic fluid and the Dirac’s constraints analysis was discussed. A set of first-class constraints fixed by noncovariant gauge condition were obtained. The path integral formalism was used to obtain the partition function for the corresponding higher-derivative Hamiltonian and the Faddeev–Popov ansatz was used to construct an effective Lagrangian. Through the partition function, a Stefan–Boltzmann type law was obtained. - Highlights: • Higher-derivative Lagrangian for a charged fluid. • Electromagnetic coupling and Dirac’s constraint analysis. • Partition function through path integral formalism. • Stefan–Boltzmann-kind law through the partition function.
Fogolari, Federico; Corazza, Alessandra; Esposito, Gennaro
2015-04-05
The generalized Born model in the Onufriev, Bashford, and Case (Onufriev et al., Proteins: Struct Funct Genet 2004, 55, 383) implementation has emerged as one of the best compromises between accuracy and speed of computation. For simulations of nucleic acids, however, a number of issues should be addressed: (1) the generalized Born model is based on a linear model and the linearization of the reference Poisson-Boltmann equation may be questioned for highly charged systems as nucleic acids; (2) although much attention has been given to potentials, solvation forces could be much less sensitive to linearization than the potentials; and (3) the accuracy of the Onufriev-Bashford-Case (OBC) model for nucleic acids depends on fine tuning of parameters. Here, we show that the linearization of the Poisson Boltzmann equation has mild effects on computed forces, and that with optimal choice of the OBC model parameters, solvation forces, essential for molecular dynamics simulations, agree well with those computed using the reference Poisson-Boltzmann model. © 2015 Wiley Periodicals, Inc.
Transport equations in weak topologies of dual Banach spaces
International Nuclear Information System (INIS)
Greenberg, W.; Polewczak, J.
1989-01-01
Nonlinear transport equations are studied, in which the nonlinearity, arising from the collision operator, is well behaved in the weak topology of a weakly compactly generated Banach space. The Cauchy problem is posed for general semilinear evolution equations, which can model a variety of diffusion and kinetic equations. Local existence theorems are obtained for such spaces. In particular, the results are applicable to transport equations in L ∞ with appropriate weak (i.e., L 1 ) continuity properties
Tarokh, Atefeh; Tarokh, Ali; Hejazi, Hossein; Karan, Kunal
2015-11-01
Fuel cells convert chemical energy of a fuel directly into electricity. The overall process is a result of coupled reaction-transport processes. The electrochemical reactions occur in porous composite catalysts layers with intermingled material phases, often made up of nano-sized particles and nano/micrometers pores. In a polymer electrolye fuel cell (PEFC) catalyst layer, the focus of this work, transport of electrons through carbon, transport of protons through ion-conducting polymer (ionomer), diffusion of gases through pores must be considered. The three different reacting species, viz. protons, electrons and reactive molecule (H2 or O2) must co-exist at the reactive interface formed by Pt catalyst surface covered by an ionomer film. We use Lattice Boltzmann Method to capture the interactions between chemistry, transport and porous medium geometries in a PEFC catalyst layer. We report the simulation results for a model but novel catalyst architecture made of a continuous carbon phase with organized pore structure. The Pt catalyst is dispersed on the internal surface of the carbon. This Pt-catalyst decorated surface is covered by a thin ionomer film. In particular, we are interested in explicitly capturing the complexity of the pore geometry and Knudsen diffusion effects.
Numerical solution of time dependent neutron transport equation. An application
International Nuclear Information System (INIS)
Barroso, Dalton Ellery Girao
2000-01-01
In this work we show a simple method to solve numerically the time-dependent neutron transport equation which is a simple extension of the numerical methods used to solve the time-independent static transport equation. This is possible because the time-discretized transport equation has the same form as the time-independent transport equation, with only some additional terms. A general outline of the method is given and used to evaluate the neutron flux in a microexplosion calculation of a highly compressed micro fissile system composed by DT-Pu-Be microsphere. (author)
Scattering theory of the linear Boltzmann operator
International Nuclear Information System (INIS)
Hejtmanek, J.
1975-01-01
In time dependent scattering theory we know three important examples: the wave equation around an obstacle, the Schroedinger and the Dirac equation with a scattering potential. In this paper another example from time dependent linear transport theory is added and considered in full detail. First the linear Boltzmann operator in certain Banach spaces is rigorously defined, and then the existence of the Moeller operators is proved by use of the theorem of Cook-Jauch-Kuroda, that is generalized to the case of a Banach space. (orig.) [de
On a two-relaxation-time D2Q9 lattice Boltzmann model for the Navier-Stokes equations
Zhao, Weifeng; Wang, Liang; Yong, Wen-An
2018-02-01
In this paper, we are concerned with the stability of some lattice kinetic schemes. First, we show that a recently proposed lattice kinetic scheme is a two-relaxation-time model different from those in the literature. Second, we analyze the stability of the model by verifying the Onsager-like relation. In addition, a necessary stability criterion for hyperbolic relaxation systems is adapted to the lattice Boltzmann method. As an application of this criterion, we find some necessary stability conditions for a previously proposed lattice kinetic scheme. Numerical experiments are conducted to validate the necessary stability conditions.
Fundaments of transport equation splitting and the eigenvalue problem
International Nuclear Information System (INIS)
Stancic, V.
2000-01-01
In order to remove some singularities concerning the boundary conditions of one dimensional transport equation, a split form of transport equation describing the forward i.e. μ≥0, and a backward μ<0 directed neutrons is being proposed here. The eigenvalue problem has also been considered here (author)
Fei, K.; Chen, T. S.; Hong, C. W.
Carbon dioxide bubble removal at the anode of a direct methanol fuel cell (DMFC) is an important technique especially for applications in the portable power sources. This paper presents numerical investigations of the two-phase flow, CO 2 bubbles in a liquid methanol solution, in the anode microchannels from the aspect of microfluidics using a thermal lattice Boltzmann model (TLBM). The main purpose is to derive an efficient and effective computational scheme to deal with this technical problem. It is then examined by a commercially available software using Navier-Stokes plus volume of fluid (VOF) method. The latter approach is normally employed by most researchers. A simplified microchannel simulation domain with the dimension of 1.5 μm in height (or width) and 16.0 μm in length has been setup for both cases to mimic the actual flow path of a CO 2 bubble inside an anodic diffusion layer in the DMFC. This paper compares both numerical schemes and results under the same operation conditions from the viewpoint of fuel cell engineering.
Piasecka-Belkhayat, Alicja; Korczak, Anna
2018-01-01
The interval coupled lattice Boltzmann equations for electrons and phonons are used to analyse the heating process of thin metal films. The interval lattice Boltzmann method (ILBM) with the uncertainly defined external source function associated with the laser irradiation is used to simulate the heat transfer. The solution of the interval Boltzmann transport equations has been obtained taking into account the rules of directed interval arithmetic. A similar analysis has been done using the sensitivity model where the Boltzmann transport equations and boundary-initial conditions have been differentiated with respect to the no-interval laser parameter. The knowledge of the sensitivity function distribution and the application of the Taylor formula allow one to find the border solutions of the problem analysed which correspond to the solution obtained assuming the uncertainly defined source function. In the final part of the paper the results of numerical computations obtained using both methods are presented.
Theory of contributon transport
International Nuclear Information System (INIS)
Painter, J.W.; Gerstl, S.A.W.; Pomraning, G.C.
1980-10-01
A general discussion of the physics of contributon transport is presented. To facilitate this discussion, a Boltzmann-like transport equation for contributons is obtained, and special contributon cross sections are defined. However, the main goal of this study is to identify contributon transport equations and investigate possible deterministic solution techniques. Four approaches to the deterministic solution of the contributon transport problem are investigated. These approaches are an attempt to exploit certain attractive properties of the contributon flux, psi = phi phi + , where phi and phi + are the solutions to the forward and adjoint Boltzmann transport equations
International Nuclear Information System (INIS)
Bartolomaeus, G.; Wilhelm, J.
1983-01-01
Recently, based on the semigroup approach a new proof was presented of the existence of a unique solution of the non-stationary Boltzmann equation for the electron component of a collision dominated plasma. The proof underlies some restriction which should be overcome to extend the validity range to other problems of physical interest. One of the restrictions is the boundary condition applied. The choice of the boundary condition is essential for the proof because it determines the range of definition of the infinitesimal generator and thus the operator semigroup itself. The paper proves the existence of a unique solution for generalized boundary conditions, this solution takes non-negative values, which is necessary for a distribution function from the physical point of view. (author)
Numerical solutions of the monoenergetic neutron transport equation with anisotropic scattering
International Nuclear Information System (INIS)
Dahl, B.
1985-01-01
The Boltzmann equation for monoenergetic neutrons has been solved numerically with high accuracy for homogeneous slabs and spheres with various degree of linear anisotropy. Vacuum boundary conditions are used. The numerical method is based on previous work by Carlvik. Benchmark values of the criticality factor and higher order eigenvalues are given for multiplying systems of thickness or diameter from 10 -5 to 20 mean free paths and with anisotropy coefficients from 0.0 to 0.3. For slab geometry, both even and odd mode eigenvalues are treated. With increasing anisotropy, an increasing number of complex eigenvalues is observer. The total flux is calculated from the eigenvector and tables of the fundamental mode flux are given. Accurate extrapolation distances are derived for various dimensions and anisotropy coefficients from our eigenvalue results on slabs and spheres and from the work by Sanchez on infinite cylinders.The time eigenvalue spectrum in subcritical systems has also been studied. First, the connection between the eigenvalues arising from the time dependent and stationary transport equation is established. Based on this, the spectrum of real time eigenvalues in slabs and spheres is calculated. For spheres, the existence of complex time eigenvalues in the region beyond the value corresponding to the Corngold limit is numerically established. The presence of such eigenvalues has earlier not been proved. It is further shown that the Boltzmann equation for a sphere is significantly simplified when the decay constant is at the Corngold limit. The spectrum of sphere diameters corresponding to this decay constant is calculated for various linear anisotropies, and detailed numerical results are given. (Author)
Jinuntuya, Fontip; Whiteley, Michael; Chen, Rui; Fly, Ashley
2018-02-01
The Gas Diffusion Layer (GDL) of a Polymer Electrolyte Membrane Fuel Cell (PEMFC) plays a crucial role in overall cell performance. It is responsible for the dissemination of reactant gasses from the gas supply channels to the reactant sites at the Catalyst Layer (CL), and the adequate removal of product water from reactant sites back to the gas channels. Existing research into water transport in GDLs has been simplified to 2D estimations of GDL structures or use virtual stochastic models. This work uses X-ray computed tomography (XCT) to reconstruct three types of GDL in a model. These models are then analysed via Lattice Boltzmann methods to understand the water transport behaviours under differing contact angles and pressure differences. In this study, the three GDL samples were tested over the contact angles of 60°, 80°, 90°, 100°, 120° and 140° under applied pressure differences of 5 kPa, 10 kPa and 15 kPa. By varying the contact angle and pressure difference, it was found that the transition between stable displacement and capillary fingering is not a gradual process. Hydrophilic contact angles in the region of 60°<θ < 90° showed stable displacement properties, whereas contact angles in the region of 100°<θ < 140° displayed capillary fingering characteristics.
Wu, Tao; Deng, Kaiming; Deng, Weiqiao; Lu, Ruifeng
2017-11-01
BNC x monolayer as a kind of two-dimensional material has numerous chemical atomic ratios and arrangements with different electronic structures. Via calculations on the basis of density functional theory and Boltzmann transport theory under deformation potential approximation, the band structures and carrier mobilities of BNC x (x = 1,2,3,4) nanosheets are systematically investigated. The calculated results show that BNC2-1 is a material with very small band gap (0.02 eV) among all the structures while other BNC x monolayers are semiconductors with band gap ranging from 0.51 eV to 1.32 eV. The carrier mobility of BNC x varies considerably from tens to millions of cm2 V‑1 s‑1. For BNC2-1, the hole mobility and electron mobility along both x and y directions can reach 105 orders of magnitude, which is similar to the carrier mobility of graphene. Besides, all studied BNC x monolayers obviously have anisotropic hole mobility and electron mobility. In particular, for semiconductor BNC4, its hole mobility along the y direction and electron mobility along the x direction unexpectedly reach 106 orders of magnitude, even higher than that of graphene. Our findings suggest that BNC x layered materials with the proper ratio and arrangement of carbon atoms will possess desirable charge transport properties, exhibiting potential applications in nanoelectronic devices.
Padrino, Juan C.; Sprittles, James; Lockerby, Duncan
2017-11-01
Thermophoresis refers to the forces on and motions of objects caused by temperature gradients when these objects are exposed to rarefied gases. This phenomenon can occur when the ratio of the gas mean free path to the characteristic physical length scale (Knudsen number) is not negligible. In this work, we obtain the thermophoretic force on a rigid, heat-conducting spherical particle immersed in a rarefied gas resulting from a uniform temperature gradient imposed far from the sphere. To this end, we model the gas dynamics using the steady, linearized version of the so-called regularized 13-moment equations (R13). This set of equations, derived from the Boltzmann equation using the moment method, provides closures to the mass, momentum, and energy conservation laws in the form of constitutive, transport equations for the stress and heat flux that extends the Navier-Stokes-Fourier model to include rarefaction effects. Integration of the pressure and stress on the surface of the sphere leads to the net force as a function of the Knudsen number, dimensionless temperature gradient, and particle-to-gas thermal conductivity ratio. Results from this expression are compared with predictions from other moment-based models as well as from kinetic models. Supported in the UK by the Engineering and Physical Sciences Research Council (EP/N016602/1).
Discontinuous Galerkin for the Radiative Transport Equation
Guermond, Jean-Luc
2013-10-11
This note presents some recent results regarding the approximation of the linear radiative transfer equation using discontinuous Galerkin methods. The locking effect occurring in the diffusion limit with the upwind numerical flux is investigated and a correction technique is proposed.
Energy Technology Data Exchange (ETDEWEB)
Urbatsch, Todd James [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2015-06-15
We present an overview of radiation transport, covering terminology, blackbody raditation, opacities, Boltzmann transport theory, approximations to the transport equation. Next we introduce several transport methods. We present a section on Caseology, observing transport boundary layers. We briefly broach topics of software development, including verification and validation, and we close with a section on high energy-density experiments that highlight and support radiation transport.
Boltzmann-Fokker-Planck calculations using standard discrete-ordinates codes
International Nuclear Information System (INIS)
Morel, J.E.
1987-01-01
The Boltzmann-Fokker-Planck (BFP) equation can be used to describe both neutral and charged-particle transport. Over the past several years, the author and several collaborators have developed methods for representing Fokker-Planck operators with standard multigroup-Legendre cross-section data. When these data are input to a standard S/sub n/ code such as ONETRAN, the code actually solves the Boltzmann-Fokker-Planck equation rather than the Boltzmann equation. This is achieved wihout any modification to the S/sub n/ codes. Because BFP calculations can be more demanding from a numerical viewpoint than standard neutronics calculations, we have found it useful to implement new quadrature methods ad convergence acceleration methods in the standard discrete-ordinates code, ONETRAN. We discuss our BFP cross-section representation techniques, our improved quadrature and acceleration techniques, and present results from BFP coupled electron-photon transport calculations performed with ONETRAN. 19 refs., 7 figs
Puglisi, Andrea
2015-01-01
This brief offers a concise presentation of granular fluids from the point of view of non-equilibrium statistical physics. The emphasis is on fluctuations, which can be large in granular fluids due to the small system size (the number of grains is many orders of magnitude smaller than in molecular fluids). Firstly, readers will be introduced to the most intriguing experiments on fluidized granular fluids. Then granular fluid theory, which goes through increasing levels of coarse-graining and emerging collective phenomena, is described. Problems and questions are initially posed at the level of kinetic theory, which describes particle densities in full or reduced phase-space. Some answers become clear through hydrodynamics, which describes the evolution of slowly evolving fields. Granular fluctuating hydrodynamics, which builds a bridge to the most recent results in non-equilibrium statistical mechanics, is also introduced. Further and more interesting answers come when the dynamics of a massive intruder are...
A Photoplethysmography Melanin Evaluation System by Modified Boltzmann Transport Equation (BTE
Directory of Open Access Journals (Sweden)
Sheng-Chieh Huang
2015-01-01
Full Text Available With the advance in cosmetic medical technology in recent years, more and more people get cosmetic medical treatments, especially skin whitening treatments. Nevertheless, people usually assess the effect of skin whitening products by vision, which is subjective and will be different from each person. To acquire the value of melanin concentration objectively, people need to go to cosmetic medical clinics. This will cause inconvenience to people. This paper develops a novel evaluation platform based on optical assessment methods, which employ different absorption and scattering properties to different wavelengths of light in human tissue to obtain melanin concentration. Moreover, this paper proposes a new method that compensates the interaction between epidermis and dermis to acquire the melanin concentration more accurately. The novel platform designed in this paper is smaller and consumes lower-power and smaller when comparing to other conventional devices in market.
Energy Technology Data Exchange (ETDEWEB)
Fidler, Christian
2011-12-16
Polarisation and Nongaussianity are expected to play a central role in future studies of the cosmic microwave background radiation. Polarisation can be split into a divergence-like E-mode and a curl-like B-mode, of which the later can only be induced by primordial gravitational waves (tensor fluctuations of the metric) at leading order. Nongaussianity is not generated at first order and is directly proportional to the primordial Nongaussianity of inflation. Thus B-mode polarisation and Nongaussianity constrain inflation models directly. While E-mode polarisation has already been detected and is being observed with increasing precision, B-mode polarisation and Nongaussianity remains elusive. The absence of B-mode polarisation when the primordial fluctuations are purely scalar holds, however, only in linear perturbation theory. B-mode polarisation is also generated from scalar sources in second order, which may constitute an important background to the search for primordial gravitational waves. While such an effect would naturally be expected to be relevant at tensor-to-scalar ratios of order 10{sup -5}, which is the size of perturbations in the microwave background, only a full second order calculation can tell whether there are no enhancements. For Nongaussianity the situation is analogous: At second order intrinsic Nongaussianities are induced to the spectrum, which may be an important background to the primordial Nongaussianity. After the full second-order Boltzmann equations for the cosmological evolution of the polarised radiation distribution have become available, I focused on the novel sources to B-mode polarisation that appear in the second-order collision term, which have not been calculated before. In my PHD thesis I developed a numerical code, which solves the second order Boltzmann hierarchy and calculates the C{sub l}{sup BB}-spectrum.
Piasecka-Belkhayat, Alicja; Korczak, Anna
2018-01-01
In the paper a description of heat transfer in a one-dimensional two-layered metal film is considered. The fuzzy coupled lattice Boltzmann equations for electrons and phonons supplemented by appropriate boundary and initial conditions are applied to analyse the thermal process in a thin metal film. The model with fuzzy values of relaxation times and boundary-initial conditions for gold and titanium is proposed. The problem considered is solved by the fuzzy lattice Boltzmann method using α-cuts and the rules of directed interval arithmetic. The application of α-cuts allows one to avoid complicated arithmetical operations in the fuzzy numbers set. In the final part of the paper an example for a numerical solution is presented.
Lattices for the lattice Boltzmann method.
Chikatamarla, Shyam S; Karlin, Iliya V
2009-04-01
A recently introduced theory of higher-order lattice Boltzmann models [Chikatamarla and Karlin, Phys. Rev. Lett. 97, 190601 (2006)] is elaborated in detail. A general theory of the construction of lattice Boltzmann models as an approximation to the Boltzmann equation is presented. New lattices are found in all three dimensions and are classified according to their accuracy (degree of approximation of the Boltzmann equation). The numerical stability of these lattices is argued based on the entropy principle. The efficiency and accuracy of many new lattices are demonstrated via simulations in all three dimensions.
An extended step characteristic method for solving the transport equation in general geometries
International Nuclear Information System (INIS)
DeHart, M.D.; Pevey, R.E.; Parish, T.A.
1994-01-01
A method for applying the discrete ordinates method to solve the Boltzmann transport equation on arbitrary two-dimensional meshes has been developed. The finite difference approach normally used to approximate spatial derivatives in extrapolating angular fluxes across a cell is replaced by direct solution of the characteristic form of the transport equation for each discrete direction. Thus, computational cells are not restricted to the geometrical shape of a mesh element characteristic of a given coordinate system. However, in terms of the treatment of energy and angular dependencies, this method resembles traditional discrete ordinates techniques. By using the method developed here, a general two-dimensional space can be approximated by an irregular mesh comprised of arbitrary polygons. Results for a number of test problems have been compared with solutions obtained from traditional methods, with good agreement. Comparisons include benchmarks against analytical results for problems with simple geometry, as well as numerical results obtained from traditional discrete ordinates methods by applying the ANISN and TWOTRAN-II computer programs
Asinari, Pietro
2009-11-01
A finite difference lattice Boltzmann scheme for homogeneous mixture modeling, which recovers Maxwell-Stefan diffusion model in the continuum limit, without the restriction of the mixture-averaged diffusion approximation, was recently proposed [P. Asinari, Phys. Rev. E 77, 056706 (2008)]. The theoretical basis is the Bhatnagar-Gross-Krook-type kinetic model for gas mixtures [P. Andries, K. Aoki, and B. Perthame, J. Stat. Phys. 106, 993 (2002)]. In the present paper, the recovered macroscopic equations in the continuum limit are systematically investigated by varying the ratio between the characteristic diffusion speed and the characteristic barycentric speed. It comes out that the diffusion speed must be at least one order of magnitude (in terms of Knudsen number) smaller than the barycentric speed, in order to recover the Navier-Stokes equations for mixtures in the incompressible limit. Some further numerical tests are also reported. In particular, (1) the solvent and dilute test cases are considered, because they are limiting cases in which the Maxwell-Stefan model reduces automatically to Fickian cases. Moreover, (2) some tests based on the Stefan diffusion tube are reported for proving the complete capabilities of the proposed scheme in solving Maxwell-Stefan diffusion problems. The proposed scheme agrees well with the expected theoretical results.
Unconditionally stable diffusion-acceleration of the transport equation
International Nuclear Information System (INIS)
Larson, E.W.
1982-01-01
The standard iterative procedure for solving fixed-source discrete-ordinates problems converges very slowly for problems in optically thick regions with scattering ratios c near unity. The diffusion-synthetic acceleration method has been proposed to make use of the fact that for this class of problems, the diffusion equation is often an accurate approximation to the transport equation. However, stability difficulties have historically hampered the implementation of this method for general transport differencing schemes. In this article we discuss a recently developed procedure for obtaining unconditionally stable diffusion-synthetic acceleration methods for various transport differencing schemes. We motivate the analysis by first discussing the exact transport equation; then we illustrate the procedure by deriving a new stable acceleration method for the linear discontinuous transport differencing scheme. We also provide some numerical results
A Boltzmann-weighted hopping model of charge transport in organic semicrystalline films
Kwiatkowski, Joe J.
2011-01-01
We present a model of charge transport in polycrystalline electronic films, which considers details of the microscopic scale while simultaneously allowing realistically sized films to be simulated. We discuss the approximations and assumptions made by the model, and rationalize its application to thin films of directionally crystallized poly(3-hexylthiophene). In conjunction with experimental data, we use the model to characterize the effects of defects in these films. Our findings support the hypothesis that it is the directional crystallization of these films, rather than their defects, which causes anisotropic mobilities. © 2011 American Institute of Physics.
Energy Technology Data Exchange (ETDEWEB)
Richers, Sherwood; Nagakura, Hiroki; Ott, Christian D. [TAPIR, Walter Burke Institute for Theoretical Physics, Mail code 350-17, California Institute of Technology, Pasadena, CA 91125 (United States); Dolence, Joshua [CCS-2, Los Alamos National Laboratory, P.O. Box 1663 Los Alamos, NM 87545 (United States); Sumiyoshi, Kohsuke [Numazu College of Technology, Ooka 3600, Numazu, Shizuoka 410-8501 (Japan); Yamada, Shoichi, E-mail: srichers@tapir.caltech.edu [Advanced Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555 (Japan)
2017-10-01
The mechanism driving core-collapse supernovae is sensitive to the interplay between matter and neutrino radiation. However, neutrino radiation transport is very difficult to simulate, and several radiation transport methods of varying levels of approximation are available. We carefully compare for the first time in multiple spatial dimensions the discrete ordinates (DO) code of Nagakura, Yamada, and Sumiyoshi and the Monte Carlo (MC) code Sedonu, under the assumptions of a static fluid background, flat spacetime, elastic scattering, and full special relativity. We find remarkably good agreement in all spectral, angular, and fluid interaction quantities, lending confidence to both methods. The DO method excels in determining the heating and cooling rates in the optically thick region. The MC method predicts sharper angular features due to the effectively infinite angular resolution, but struggles to drive down noise in quantities where subtractive cancellation is prevalent, such as the net gain in the protoneutron star and off-diagonal components of the Eddington tensor. We also find that errors in the angular moments of the distribution functions induced by neglecting velocity dependence are subdominant to those from limited momentum-space resolution. We briefly compare directly computed second angular moments to those predicted by popular algebraic two-moment closures, and we find that the errors from the approximate closures are comparable to the difference between the DO and MC methods. Included in this work is an improved Sedonu code, which now implements a fully special relativistic, time-independent version of the grid-agnostic MC random walk approximation.
Energy Technology Data Exchange (ETDEWEB)
Kawakami, H.; Urabe, J.; Yukimura, K. (Doshisha Univ., Kyoto (Japan))
1991-03-20
In a discharge excitation rare gas halide excima laser, uniform generation and stable maintenance of the excited discharge determines the laser characteristics. In this report, an approximate solution was obtained on the Boltzmann equation (frequently used for the theoretical analysis of this laser) to examine the nature of the solution. By optimizing the conversion of the variables, calculation of an electron swarm parameter in the hitherto uncertain range of the low conversion electric field was made possible, giving a generation mechanism of the uncertainty of the excited dischareg. The results are summarized as below. (1) The Boltzmann equation gives a linear solution for a logarithmic value of an electron energy in the range of low conversion electric field. (2) Time-wise responce ability between the measured voltage, current characteristics of the excitation discharge was clarified and the attachment and ionization coefficients calculated by Boltzmann equation. (3) Dependency of the attachment coefficient on the partial pressure of fluorine and kripton was examined, and the attachment coefficient was found to increase with the increase of the partial pressure for the both cases. 20 refs., 9 figs., 2 tabs.
Wang, Peng; Wang, Lian-Ping; Guo, Zhaoli
2016-10-01
The main objective of this work is to perform a detailed comparison of the lattice Boltzmann equation (LBE) and the recently developed discrete unified gas-kinetic scheme (DUGKS) methods for direct numerical simulation (DNS) of the decaying homogeneous isotropic turbulence and the Kida vortex flow in a periodic box. The flow fields and key statistical quantities computed by both methods are compared with those from the pseudospectral method at both low and moderate Reynolds numbers. The results show that the LBE is more accurate and efficient than the DUGKS, but the latter has a superior numerical stability, particularly for high Reynolds number flows. In addition, we conclude that the DUGKS can adequately resolve the flow when the minimum spatial resolution parameter k_{max}η>3, where k_{max} is the maximum resolved wave number and η is the flow Kolmogorov length. This resolution requirement can be contrasted with the requirements of k_{max}η>1 for the pseudospectral method and k_{max}η>2 for the LBE. It should be emphasized that although more validations should be conducted before the DUGKS can be called a viable tool for DNS of turbulent flows, the present work contributes to the overall assessment of the DUGKS, and it provides a basis for further applications of DUGKS in studying the physics of turbulent flows.
Energy Technology Data Exchange (ETDEWEB)
Blaizot, Jean-Paul [Institut de Physique Théorique, CNRS/URA 2306, CEA Saclay, F-91191 Gif-sur-Yvette (France); Liao, Jinfeng [Physics Dept. and CEEM, Indiana University, 2401 N Milo B. Sampson Lane, Bloomington, IN 47408 (United States); RIKEN BNL Research Center, Bldg. 510A, Brookhaven National Laboratory, Upton, NY 11973 (United States); McLerran, Larry [Physics Dept., Bldg. 510A, Brookhaven National Laboratory, Upton, NY 11973 (United States); RIKEN BNL Research Center, Bldg. 510A, Brookhaven National Laboratory, Upton, NY 11973 (United States); Physics Department, China Central Normal University, Wuhan (China)
2014-11-15
To understand the evolution of a dense system of gluons, such as those produced in the early stages of ultra-relativistic heavy ion collisions, is an important and challenging problem. We describe the approach to thermal equilibrium using the small angle approximation for gluon scattering in a Boltzmann equation that includes the effects of Bose statistics. The role of Bose statistical factors in amplifying the rapid growth of the population of the soft modes is essential. With these factors properly taken into account, one finds that elastic scattering alone provides an efficient mechanism for populating soft modes, and in fact leads to rapid infrared local thermalization. Furthermore, recent developments suggest that high initial overpopulation plays a key role and may lead to dynamical Bose–Einstein condensation. The kinetics of condensation is an interesting problem in itself. By solving the transport equation for initial conditions with a large enough initial phase-space density the equilibrium state contains a Bose condensate, and we present numerical evidence that such over-occupied systems reach the onset of Bose–Einstein condensation in a finite time. It is also found that the approach to condensation is characterized by a scaling behavior. Finally we discuss a number of extensions of the present study.
International Nuclear Information System (INIS)
Blaizot, Jean-Paul; Liao, Jinfeng; McLerran, Larry
2014-01-01
To understand the evolution of a dense system of gluons, such as those produced in the early stages of ultra-relativistic heavy ion collisions, is an important and challenging problem. We describe the approach to thermal equilibrium using the small angle approximation for gluon scattering in a Boltzmann equation that includes the effects of Bose statistics. The role of Bose statistical factors in amplifying the rapid growth of the population of the soft modes is essential. With these factors properly taken into account, one finds that elastic scattering alone provides an efficient mechanism for populating soft modes, and in fact leads to rapid infrared local thermalization. Furthermore, recent developments suggest that high initial overpopulation plays a key role and may lead to dynamical Bose–Einstein condensation. The kinetics of condensation is an interesting problem in itself. By solving the transport equation for initial conditions with a large enough initial phase-space density the equilibrium state contains a Bose condensate, and we present numerical evidence that such over-occupied systems reach the onset of Bose–Einstein condensation in a finite time. It is also found that the approach to condensation is characterized by a scaling behavior. Finally we discuss a number of extensions of the present study
Gao, Jinfang; Xing, Huilin; Tian, Zhiwei; Pearce, Julie K.; Sedek, Mohamed; Golding, Suzanne D.; Rudolph, Victor
2017-01-01
Injection of CO2 subsurface may lead to chemical reactivity of rock where CO2 is dissolved in groundwater. This process can modify pore networks to increase or decrease porosity through mineral dissolution and precipitation. A lattice Boltzmann (LB) based computational model study on the pore scale reactive transport in three dimensional heterogeneous porous media (sandstone consisting of both reactive and non-reactive minerals) is described. This study examines how fluid transport in porous materials subject to reactive conditions is affected by unsteady state local reactions and unstable dissolution fronts. The reaction of a calcite cemented core sub-plug from the Hutton Sandstone of the Surat Basin, Australia, is used as a study case. In particular, the work studies the interaction of acidic fluid (an aqueous solution with an elevated concentration of carbonic acid) with reactive (e.g. calcite) and assumed non-reactive (e.g. quartz) mineral surfaces, mineral dissolution and mass transfer, and resultant porosity change. The proposed model is implemented in our custom LBM code and suitable for studies of multiple mineral reactions with disparate reaction rates. A model for carbonic acid reaction with calcite cemented sandstone in the CO2-water-rock system is verified through laboratory experimental data including micro-CT characterization before and after core reaction at reservoir conditions. The experimentally validated model shows: (1) the dissolution of calcite cement forms conductive channels at the pore scale, and enables the generation of pore throats and connectivity; (2) the model is able to simulate the reaction process until the reaction equilibrium status is achieved (around 1440 days); (3) calcite constituting a volume of around 9.6% of the whole core volume is dissolved and porosity is consequently increased from 1.1% to 10.7% on reaching equilibrium; (4) more than a third of the calcite (constituting 7.4% of the total core volume) is unaffected
Generalized heat-transport equations: parabolic and hyperbolic models
Rogolino, Patrizia; Kovács, Robert; Ván, Peter; Cimmelli, Vito Antonio
2018-03-01
We derive two different generalized heat-transport equations: the most general one, of the first order in time and second order in space, encompasses some well-known heat equations and describes the hyperbolic regime in the absence of nonlocal effects. Another, less general, of the second order in time and fourth order in space, is able to describe hyperbolic heat conduction also in the presence of nonlocal effects. We investigate the thermodynamic compatibility of both models by applying some generalizations of the classical Liu and Coleman-Noll procedures. In both cases, constitutive equations for the entropy and for the entropy flux are obtained. For the second model, we consider a heat-transport equation which includes nonlocal terms and study the resulting set of balance laws, proving that the corresponding thermal perturbations propagate with finite speed.
Homogenization of the critically spectral equation in neutron transport
International Nuclear Information System (INIS)
Allaire, G.; Paris-6 Univ., 75; Bal, G.
1998-01-01
We address the homogenization of an eigenvalue problem for the neutron transport equation in a periodic heterogeneous domain, modeling the criticality study of nuclear reactor cores. We prove that the neutron flux, corresponding to the first and unique positive eigenvector, can be factorized in the product of two terms, up to a remainder which goes strongly to zero with the period. On terms is the first eigenvector of the transport equation in the periodicity cell. The other term is the first eigenvector of a diffusion equation in the homogenized domain. Furthermore, the corresponding eigenvalue gives a second order corrector for the eigenvalue of the heterogeneous transport problem. This result justifies and improves the engineering procedure used in practice for nuclear reactor cores computations. (author)
Thermodynamic framework for a generalized heat transport equation
Directory of Open Access Journals (Sweden)
Guo Yangyu
2016-06-01
Full Text Available In this paper, a generalized heat transport equation including relaxational, nonlocal and nonlinear effects is provided, which contains diverse previous phenomenological models as particular cases. The aim of the present work is to establish an extended irreversible thermodynamic framework, with generalized expressions of entropy and entropy flux. Nonlinear thermodynamic force-flux relation is proposed as an extension of the usual linear one, giving rise to the nonlinear terms in the heat transport equation and ensuring compatibility with the second law. Several previous results are recovered in the linear case, and some additional results related to nonlinear terms are also obtained.
The structure of singularities in nonlocal transport equations
Energy Technology Data Exchange (ETDEWEB)
Hoz, F de la [Departamento de Matematica Aplicada, Universidad del PaIs Vasco-Euskal Herriko Unibertsitatea, Escuela Universitaria de IngenierIa Tecnica Industrial, Plaza de la Casilla 3, 48012 Bilbao (Spain); Fontelos, M A [Instituto de Matematicas y Fisica Fundamental, Consejo Superior de Investigaciones CientIficas, C/Serrano 123, 28006 Madrid (Spain)
2008-05-09
We describe the structure of solutions developing singularities in the form of cusps in finite time in nonlocal transport equations of the family: {theta}{sub t}-{delta}({theta}H({theta})){sub x}-(1-{delta})H({theta}){theta}{sub x}=0, 0<={delta}<=1, where H represents the Hilbert transform. Equations of this type appear in various contexts: evolution of vortex sheets, models for quasi-geostrophic equation and evolution equations for order parameters. Equation (1) was studied, and the existence of singularities developing in finite time was proved. The structure of such singularities was, nevertheless, not described. In this paper, we will describe the geometry of the solution in the neighborhood of the singularity once it develops and the (self-similar) way in which it is approached as t {yields} t{sub 0}, where t{sub 0} is the singular time.
Two-scale approach to oscillatory singularly perturbed transport equations
Frénod, Emmanuel
2017-01-01
This book presents the classical results of the two-scale convergence theory and explains – using several figures – why it works. It then shows how to use this theory to homogenize ordinary differential equations with oscillating coefficients as well as oscillatory singularly perturbed ordinary differential equations. In addition, it explores the homogenization of hyperbolic partial differential equations with oscillating coefficients and linear oscillatory singularly perturbed hyperbolic partial differential equations. Further, it introduces readers to the two-scale numerical methods that can be built from the previous approaches to solve oscillatory singularly perturbed transport equations (ODE and hyperbolic PDE) and demonstrates how they can be used efficiently. This book appeals to master’s and PhD students interested in homogenization and numerics, as well as to the Iter community.
Energy Technology Data Exchange (ETDEWEB)
Wang, Chi-Jen [Iowa State Univ., Ames, IA (United States)
2013-01-01
In this thesis, we analyze both the spatiotemporal behavior of: (A) non-linear “reaction” models utilizing (discrete) reaction-diffusion equations; and (B) spatial transport problems on surfaces and in nanopores utilizing the relevant (continuum) diffusion or Fokker-Planck equations. Thus, there are some common themes in these studies, as they all involve partial differential equations or their discrete analogues which incorporate a description of diffusion-type processes. However, there are also some qualitative differences, as shall be discussed below.
Saltwater Intrusion Simulation in Heterogeneous Aquifer Using Lattice Boltzmann Method
Servan-Camas, B.; Tsai, F. T.
2006-12-01
This study develops a saltwater intrusion simulation model using a lattice Boltzmann method (LBM) in a two- dimensional coastal confined aquifer. The saltwater intrusion phenomenon is described by density-varied groundwater flow and mass transport equations, where a freshwater-saltwater mixing zone is considered. Although primarily developed using the mesoscopic approach to solve macroscopic fluid dynamic problems (e.g. Navier-Stoke equation), LBM is able to be adopted to solve physical-based diffusion-type governing equations as for the groundwater flow and mass transport equations. The challenge of using LBM in saltwater intrusion modeling is to recover hydraulic conductivity heterogeneity. In this study, the Darcy equation and the advection-dispersion equation (ADE) are recovered in the lattice Boltzmann modeling. Specifically, the hydraulic conductivity heterogeneity is represented by the speed of sound in LBM. Under the consideration on the steady-state groundwater flow due to low storativity, in each time step the flow problem is modified to be a Poisson equation and solved by LBM. Nevertheless, the groundwater flow is still a time-marching problem with spatial-temporal variation in salinity concentration as well as density. The Henry problem is used to compare the LBM results against the Henry analytic solution and SUTRA result. Also, we show that LBM is capable of handling the Dirichlet, Neumann, and Cauchy concentration boundary conditions at the sea side. Finally, we compare the saltwater intrusion results using LBM in the Henry problem when heterogeneous hydraulic conductivity is considered.
Jeffrey J. Barry; John M. Buffington; Peter Goodwin; John .G. King; William W. Emmett
2008-01-01
Previous studies assessing the accuracy of bed-load transport equations have considered equation performance statistically based on paired observations of measured and predicted bed-load transport rates. However, transport measurements were typically taken during low flows, biasing the assessment of equation performance toward low discharges, and because equation...
Transport modelling in coastal waters using stochastic differential equations
Charles, W.M.
2007-01-01
In this thesis, the particle model that takes into account the short term correlation behaviour of pollutants dispersion has been developed. An efficient particle model for sediment transport has been developed. We have modified the existing particle model by adding extra equations for the
A transport equation for quantum fields with continuous mass spectrum
International Nuclear Information System (INIS)
Henning, P.A.
1994-02-01
Within a relativistic real-time Green's function formalism, a quantum transport equation for the phase-space distribution function is derived without a quasi-particle approximation. Dissipation is due to a nonzero spectral width, and can be separated into time-local and memory effects. (orig.)
From statistic mechanic outside equilibrium to transport equations
International Nuclear Information System (INIS)
Balian, R.
1995-01-01
This lecture notes give a synthetic view on the foundations of non-equilibrium statistical mechanics. The purpose is to establish the transport equations satisfied by the relevant variables, starting from the microscopic dynamics. The Liouville representation is introduced, and a projection associates with any density operator , for given choice of relevant observables, a reduced density operator. An exact integral-differential equation for the relevant variables is thereby derived. A short-memory approximation then yields the transport equations. A relevant entropy which characterizes the coarseness of the description is associated with each level of description. As an illustration, the classical gas, with its three levels of description and with the Chapman-Enskog method, is discussed. (author). 3 figs., 5 refs
A stochastic solution of the advective transport equation with uncertainty
International Nuclear Information System (INIS)
Williams, M.M.R.
1991-01-01
A model has been developed for calculating the transport of water-borne radionuclides through layers of porous materials, such as rock or clay. The model is based upon a purely advective transport equation, in which the fluid velocity is a random variable, thereby simulating dispersion in a more realistic manner than the ad hoc introduction of a dispersivity. In addition to a random velocity field, which is an observable physical phenomenon, allowance is made for uncertainty in our knowledge of the parameters which enter the equation, e.g. the retardation coefficient. This too, is assumed to be a random variable and contributes to the stochasticity of the resulting partial differential equation of transport. The stochastic differential equation can be solved analytically and then ensemble averages taken over the associated probability distribution of velocity and retardation coefficient. A method based upon a novel form of the central limit theorem of statistics is employed to obtain tractable solutions of a system consisting of many serial legs of varying properties. One interesting conclusion is that the total flux out of a medium is significantly underestimated by using the deterministic solution with an average transit time compared with that from the stochastically averaged solution. The theory is illustrated numerically for a number of physically relevant cases. (author) 8 figs., 4 tabs., 7 refs
A solution of the neutron transport equation using spherical harmonics
International Nuclear Information System (INIS)
Fletcher, J.K.
1983-01-01
A solution of the neutron transport equation is obtained by expanding the flux as a series. Preliminary investigations in one dimension indicated that the first-order differential equations resulting for the unknown coefficients or moments could be solved by eliminating terms with odd L (L = order of Legendre polynomial) to give a second-order system. FORTRAN subroutines have been written to calculate the necessary coefficients and specify the relevant differentials. A finite-difference or finite-element approximation can then be used. (U.K.)
QCD effective actions from the solutions of the transport equations
Manuel, C; Manuel, Cristina; Mrowczynski, Stanislaw
2003-01-01
We solve the collisionless transport equations of a quark-gluon plasma interacting through mean chromodynamic fields. The system is assumed to be translation invariant in one or more space-time directions. We present exact solutions that hold if the vector gauge fields in the direction of the translation invariance commute with their covariant derivatives. We also solve the equations perturbatively when the commutation condition is relaxed. Further, we derive the color current and the associated effective action. For the static quasi-equilibrium system, our results reproduce the full one-loop effective action of QCD in the presence of constant background fields, where the above mentioned commutation condition is satisfied.
Energy Technology Data Exchange (ETDEWEB)
Uchida, S.; Sugawara, H.; Ventzek, P.; Sakai, Y. [Hokkaido University, Sapporo (Japan)
1998-06-01
Xe/Ne plasmas are important for plasma display panels and VUV light sources. However, reactions between electrons and excited particles in the mixtures are so complicated that influence of the reactions on the plasma properties is not understood well. In this work, taking account of reactions through which electrons are produced, such as cumulative and Penning ionization, and of transition between excited levels, the electron and excited particle properties in Xe/Ne plasmas are calculated using the Boltzmann equation. The ionization coefficient and electron drift velocity agreed with experimental data. The influence of laser absorption in Xe/Ne plasmas on the plasma properties is also discussed. 25 refs., 15 figs.
1D equation for toroidal momentum transport in a tokamak
International Nuclear Information System (INIS)
Rozhansky, V A; Senichenkov, I Yu
2010-01-01
A 1D equation for toroidal momentum transport is derived for a given set of turbulent transport coefficients. The averaging is performed taking account of the poloidal variation of the toroidal fluxes and is based on the ambipolar condition of the zero net radial current through the flux surface. It is demonstrated that taking account of the Pfirsch-Schlueter fluxes leads to a torque in the toroidal direction which is proportional to the gradient of the ion temperature. This effect is new and has not been discussed before. The boundary condition at the separatrix, which is based on the results of the 2D simulations of the edge plasma, is formulated.
The Lorentz gas in Kaluza's MHD: Transport equations
Sandoval-Villalbazo, Alfredo; Sagaceta-Mejia, Alma Rocio; Mondragon-Suarez, Jose Humberto
2016-11-01
Relativistic kinetic theory is applied to the study of the transport processes present in a Lorentz gas, using a geometric five-dimensional space-time. While the conventional transport equations are recovered in the Newtonian limit, it is shown that relativistic corrections to the conduction and diffusion fluxes arise within this formalism. A brief review of the conceptual advantages of the Kaluza-type approach to magnetohydrodynamics is also given. The authors acknowledge support from CONACyT through Grant CB2011/167563.
Transport equations in an enzymatic glucose fuel cell
Jariwala, Soham; Krishnamurthy, Balaji
2018-01-01
A mathematical model is developed to study the effects of convective flux and operating temperature on the performance of an enzymatic glucose fuel cell with a membrane. The model assumes isothermal operating conditions and constant feed rate of glucose. The glucose fuel cell domain is divided into five sections, with governing equations describing transport characteristics in each region, namely - anode diffusion layer, anode catalyst layer (enzyme layer), membrane, cathode catalyst layer and cathode diffusion layer. The mass transport is assumed to be one-dimensional and the governing equations are solved numerically. The effects flow rate of glucose feed on the performance of the fuel cell are studied as it contributes significantly to the convective flux. The effects of operating temperature on the performance of a glucose fuel cell are also modeled. The cell performances are compared using cell polarization curves, which were found compliant with experimental observations.
Finite element approximation to the even-parity transport equation
International Nuclear Information System (INIS)
Lewis, E.E.
1981-01-01
This paper studies the finite element method, a procedure for reducing partial differential equations to sets of algebraic equations suitable for solution on a digital computer. The differential equation is cast into the form of a variational principle, the resulting domain then subdivided into finite elements. The dependent variable is then approximated by a simple polynomial, and these are linked across inter-element boundaries by continuity conditions. The finite element method is tailored to a variety of transport problems. Angular approximations are formulated, and the extent of ray effect mitigation is examined. Complex trial functions are introduced to enable the inclusion of buckling approximations. The ubiquitous curved interfaces of cell calculations, and coarse mesh methods are also treated. A concluding section discusses limitations of the work to date and suggests possible future directions
New numerical method for solving the solute transport equation
International Nuclear Information System (INIS)
Ross, B.; Koplik, C.M.
1978-01-01
The solute transport equation can be solved numerically by approximating the water flow field by a network of stream tubes and using a Green's function solution within each stream tube. Compared to previous methods, this approach permits greater computational efficiency and easier representation of small discontinuities, and the results are easier to interpret physically. The method has been used to study hypothetical sites for disposal of high-level radioactive waste
Numerical Integration of the Transport Equation For Infinite Homogeneous Media
Energy Technology Data Exchange (ETDEWEB)
Haakansson, Rune
1962-01-15
The transport equation for neutrons in infinite homogeneous media is solved by direct numerical integration. Accounts are taken to the anisotropy and the inelastic scattering. The integration has been performed by means of the trapezoidal rule and the length of the energy intervals are constant in lethargy scale. The machine used is a Ferranti Mercury computer. Results are given for water, heavy water, aluminium water mixture and iron-aluminium-water mixture.
Comparison of neutronic transport equation resolution nodal methods
International Nuclear Information System (INIS)
Zamonsky, O.M.; Gho, C.J.
1990-01-01
In this work, some transport equation resolution nodal methods are comparatively studied: the constant-constant (CC), linear-nodal (LN) and the constant-quadratic (CQ). A nodal scheme equivalent to finite differences has been used for its programming, permitting its inclusion in existing codes. Some bidimensional problems have been solved, showing that linear-nodal (LN) are, in general, obtained with accuracy in CPU shorter times. (Author) [es
Transport parameter estimation from lymph measurements and the Patlak equation.
Watson, P D; Wolf, M B
1992-01-01
Two methods of estimating protein transport parameters for plasma-to-lymph transport data are presented. Both use IBM-compatible computers to obtain least-squares parameters for the solvent drag reflection coefficient and the permeability-surface area product using the Patlak equation. A matrix search approach is described, and the speed and convenience of this are compared with a commercially available gradient method. The results from both of these methods were different from those of a method reported by Reed, Townsley, and Taylor [Am. J. Physiol. 257 (Heart Circ. Physiol. 26): H1037-H1041, 1989]. It is shown that the Reed et al. method contains a systematic error. It is also shown that diffusion always plays an important role for transmembrane transport at the exit end of a membrane channel under all conditions of lymph flow rate and that the statement that diffusion becomes zero at high lymph flow rate depends on a mathematical definition of diffusion.
International Nuclear Information System (INIS)
Rodriguez, B.D.A.; Vilhena, M.T.; Borges, V.; Hoff, G.
2008-01-01
In this paper we solve the Fokker-Planck (FP) equation, an alternative approach for the Boltzmann transport equation for charged particles in a rectangular domain. To construct the solution we begin applying the P N approximation in the angular variable and the Laplace Transform in the x-variable, thus obtaining a first order linear differential equation in y-variable, which the solution is straightforward. The angular flux of electrons and the parameters of the medium are used for the calculation of the energy deposited by the secondary electrons generated by Compton Effect. The remaining effects will not be taken into account. The results will be presented under absorbed energy form in several points of interested. We present numerical simulations and comparisons with results obtained by using Geant4 (version 8) program which applies the Monte Carlo's technique to low energy libraries for a two-dimensional problem assuming the screened Rutherford differential scattering cross-section
Energy Technology Data Exchange (ETDEWEB)
Li, M
1998-08-01
In this thesis, two methods for solving the multigroup Boltzmann equation have been studied: the interface-current method and the Monte Carlo method. A new version of interface-current (IC) method has been develop in the TDT code at SERMA, where the currents of interface are represented by piecewise constant functions in the solid angle space. The convergence of this method to the collision probability (CP) method has been tested. Since the tracking technique is used for both the IC and CP methods, it is necessary to normalize he collision probabilities obtained by this technique. Several methods for this object have been studied and implemented in our code, we have compared their performances and chosen the best one as the standard choice. The transfer matrix treatment has been a long-standing difficulty for the multigroup Monte Carlo method: when the cross-sections are converted into multigroup form, important negative parts will appear in the angular transfer laws represented by low-order Legendre polynomials. Several methods based on the preservation of the first moments, such as the discrete angles methods and the equally-probable step function method, have been studied and implemented in the TRIMARAN-II code. Since none of these codes has been satisfactory, a new method, the non equally-probably step function method, has been proposed and realized in our code. The comparisons for these methods have been done in several aspects: the preservation of the moments required, the calculation of a criticality problem and the calculation of a neutron-transfer in water problem. The results have showed that the new method is the best one in all these comparisons, and we have proposed that it should be a standard choice for the multigroup transfer matrix. (author) 76 refs.
Lattice Boltzmann approach for complex nonequilibrium flows.
Montessori, A; Prestininzi, P; La Rocca, M; Succi, S
2015-10-01
We present a lattice Boltzmann realization of Grad's extended hydrodynamic approach to nonequilibrium flows. This is achieved by using higher-order isotropic lattices coupled with a higher-order regularization procedure. The method is assessed for flow across parallel plates and three-dimensional flows in porous media, showing excellent agreement of the mass flow with analytical and numerical solutions of the Boltzmann equation across the full range of Knudsen numbers, from the hydrodynamic regime to ballistic motion.
Transport methods: general. 8. Formulation of Transport Equation in a Split Form
International Nuclear Information System (INIS)
Stancic, V.
2001-01-01
The singular eigenfunction expansion method has enabled the application of functional analysis methods in transport theory. However, when applying it, the users were discouraged, since in most problems, including slab problems, an extra problem has occurred. It appears necessary to solve the Fredholm integral equation in order to determine the expansion coefficients. There are several reasons for this difficulty. One reason might be the use of the full-range expansion techniques even in the regions where the function is singular. Such an example is the free boundary condition that requires the distribution to be equal to zero. Moreover, at μ = 0, the transport equation becomes an integral one. Both reasons motivated us to redefine the transport equation in a more natural way. Similar to scattering theory, here we define the flux distribution as a direct sum of forward- and backward-directed neutrons, e.g., μ ≥ 0 and μ < 0, respectively. As a result, the plane geometry transport equation is being split into coupled-pair equations. Further, using an appropriate transformation, this pair of equations reduces to a self-adjoint one having the same form as the known full-range single flux. It is interesting that all the methods of full-range theory are applicable here provided the flux as well as the transformed transport operator are two-dimensional matrices. Applying this to the slab problem, we find explicit expressions for reflected and transmitted particles caused by an arbitrary plane source. That is the news in this paper. Because of space constraints, only fundamentals of this approach will be presented here. We assume that the reader is familiar with this field; therefore, the applications are noted only at the end. (author)
Morales-Casique, E.; Lezama-Campos, J. L.; Guadagnini, A.; Neuman, S. P.
2013-05-01
Modeling tracer transport in geologic porous media suffers from the corrupt characterization of the spatial distribution of hydrogeologic properties of the system and the incomplete knowledge of processes governing transport at multiple scales. Representations of transport dynamics based on a Fickian model of the kind considered in the advection-dispersion equation (ADE) fail to capture (a) the temporal variation associated with the rate of spreading of a tracer, and (b) the distribution of early and late arrival times which are often observed in field and/or laboratory scenarios and are considered as the signature of anomalous transport. Elsewhere we have presented exact stochastic moment equations to model tracer transport in randomly heterogeneous aquifers. We have also developed a closure scheme which enables one to provide numerical solutions of such moment equations at different orders of approximations. The resulting (ensemble) average and variance of concentration fields were found to display a good agreement against Monte Carlo - based simulation results for mildly heterogeneous (or well-conditioned strongly heterogeneous) media. Here we explore the ability of the moment equations approach to describe the distribution of early arrival times and late time tailing effects which can be observed in Monte-Carlo based breakthrough curves (BTCs) of the (ensemble) mean concentration. We show that BTCs of mean resident concentration calculated at a fixed space location through higher-order approximations of moment equations display long tailing features of the kind which is typically associated with anomalous transport behavior and are not represented by an ADE model with constant dispersive parameter, such as the zero-order approximation.
Singh, Pawan P; Maier, Dirk E; Cushman, John H; Haghighi, Kamyar; Corvalan, Carlos
2004-07-01
Within the framework of continuum mechanics, Singh et al. developed an integro-differential equation, which applies to both Darcian (Fickian) and non-Darcian (non-Fickian) modes of fluid transport in swelling biological systems. A dimensionless form of the equation was obtained and transformed from moving Eulerian to the stationary Lagrangian coordinates. Here a solution scheme for the transport equation is developed to predict moisture transport and viscoelastic stresses in spheroidal biopolymeric materials. The equation was solved numerically and results used for predicting drying and sorption curves, moisture profiles, and viscoelastic stresses in soybeans. The Lagrangian solution was obtained by assembling together several schemes: the finite element method was used to discretize the equation in space; non-linearity was addressed using the Newton-Raphson method; the Volterra term was handled via a time integration scheme of Patlashenko et al. and the Galerkin rule was used to solve the time-differential term. The solution obtained in Lagrangian coordinates was transformed back to the Eulerian coordinates. In part II of this sequence we present the numerical results.
Modeling Blazar Spectra by Solving an Electron Transport Equation
Lewis, Tiffany; Finke, Justin; Becker, Peter A.
2018-01-01
Blazars are luminous active galaxies across the entire electromagnetic spectrum, but the spectral formation mechanisms, especially the particle acceleration, in these sources are not well understood. We develop a new theoretical model for simulating blazar spectra using a self-consistent electron number distribution. Specifically, we solve the particle transport equation considering shock acceleration, adiabatic expansion, stochastic acceleration due to MHD waves, Bohm diffusive particle escape, synchrotron radiation, and Compton radiation, where we implement the full Compton cross-section for seed photons from the accretion disk, the dust torus, and 26 individual broad lines. We used a modified Runge-Kutta method to solve the 2nd order equation, including development of a new mathematical method for normalizing stiff steady-state ordinary differential equations. We show that our self-consistent, transport-based blazar model can qualitatively fit the IR through Fermi g-ray data for 3C 279, with a single-zone, leptonic configuration. We use the solution for the electron distribution to calculate multi-wavelength SED spectra for 3C 279. We calculate the particle and magnetic field energy densities, which suggest that the emitting region is not always in equipartition (a common assumption), but sometimes matter dominated. The stratified broad line region (based on ratios in quasar reverberation mapping, and thus adding no free parameters) improves our estimate of the location of the emitting region, increasing it by ~5x. Our model provides a novel view into the physics at play in blazar jets, especially the relative strength of the shock and stochastic acceleration, where our model is well suited to distinguish between these processes, and we find that the latter tends to dominate.
International Nuclear Information System (INIS)
Merton, S. R.; Smedley-Stevenson, R. P.; Pain, C. C.; Buchan, A. G.; Eaton, M. D.
2009-01-01
This paper describes a new Non-Linear Discontinuous Petrov-Galerkin (NDPG) method and application to the one-speed Boltzmann Transport Equation (BTE) for space-time problems. The purpose of the method is to remove unwanted oscillations in the transport solution which occur in the vicinity of sharp flux gradients, while improving computational efficiency and numerical accuracy. This is achieved by applying artificial dissipation in the solution gradient direction, internal to an element using a novel finite element (FE) Riemann approach. The amount of dissipation added acts internal to each element. This is done using a gradient-informed scaling of the advection velocities in the stabilisation term. This makes the method in its most general form non-linear. The method is designed to be independent of angular expansion framework. This is demonstrated for the both discrete ordinates (S N ) and spherical harmonics (P N ) descriptions of the angular variable. Results show the scheme performs consistently well in demanding time dependent and multi-dimensional radiation transport problems. (authors)
A large eddy lattice Boltzmann simulation of magnetohydrodynamic turbulence
Flint, Christopher; Vahala, George
2018-02-01
Large eddy simulations (LES) of a lattice Boltzmann magnetohydrodynamic (LB-MHD) model are performed for the unstable magnetized Kelvin-Helmholtz jet instability. This algorithm is an extension of Ansumali et al. [1] to MHD in which one performs first an expansion in the filter width on the kinetic equations followed by the usual low Knudsen number expansion. These two perturbation operations do not commute. Closure is achieved by invoking the physical constraint that subgrid effects occur at transport time scales. The simulations are in very good agreement with direct numerical simulations.
Hansel, Joshua E.; Ragusa, Jean C.
2018-02-01
The Flux-Corrected Transport (FCT) algorithm is applied to the unsteady and steady-state particle transport equation. The proposed FCT method employs the following: (1) a low-order, positivity-preserving scheme, based on the application of M-matrix properties, (2) a high-order scheme based on the entropy viscosity method introduced by Guermond [1], and (3) local, discrete solution bounds derived from the integral transport equation. The resulting scheme is second-order accurate in space, enforces an entropy inequality, mitigates the formation of spurious oscillations, and guarantees the absence of negativities. Space discretization is achieved using continuous finite elements. Time discretizations for unsteady problems include theta schemes such as explicit and implicit Euler, and strong-stability preserving Runge-Kutta (SSPRK) methods. The developed FCT scheme is shown to be robust with explicit time discretizations but may require damping in the nonlinear iterations for steady-state and implicit time discretizations.
Simulating density-dependent flows using the lattice Boltzmann method
Bardsley, K. J.; Sukop, M. C.
2008-12-01
Seawater intrusion is a classic density-dependent problem in hydrogeology. It must be fully understood in order to be able to predict and prevent groundwater deterioration in coastal areas. All of the current programs used to study this issue are either finite difference or finite element methods. Density-dependent flow problems are exceptionally challenging for conventional numerical methods due to inherent non-linearity; definitive solutions are often elusive and a completely different modeling approach may be advantageous. The lattice Boltzmann method (LBM) represents such a numerical tool because it is not based on discretization of a series of differential equations. Instead, its foundation lies in the kinetic theory of gasses as proposed by Boltzmann. A key advantage of lattice Boltzmann method is that it has the ability to solve the Navier-Stokes equations in larger conduits and pores. Recent advances in lattice Boltzmann modeling permit simulation of large-scale density-dependent ground water flow and heat/solute transport. These simulations can be accomplished while retaining the advantages of 'regular' lattice Boltzmann methods, such as solute/heat transport at high Reynolds numbers. Hence it allows for eddy diffusion brought on by inertial components of flow at higher Reynolds numbers, which may occur in some coastal aquifers. This may prove to be an advantage for freshwater/seawater interface simulations especially given the highly macroporous nature of the aquifers underlying south Florida. Simulation of these phenomena is not possible with traditional Darcy's law-based groundwater models. Some geologists and engineers have been able to successfully apply LBM to fluid flow and contaminant transport problems. There are only a handful of scientists attempting to apply LBM to density-dependent flows in general; even fewer have considered seawater intrusion. We show how this method can be applied to density-dependent flows. We present two sets of results
Numerical method for solving integral equations of neutron transport. II
International Nuclear Information System (INIS)
Loyalka, S.K.; Tsai, R.W.
1975-01-01
In a recent paper it was pointed out that the weakly singular integral equations of neutron transport can be quite conveniently solved by a method based on subtraction of singularity. This previous paper was devoted entirely to the consideration of simple one-dimensional isotropic-scattering and one-group problems. The present paper constitutes interesting extensions of the previous work in that in addition to a typical two-group anisotropic-scattering albedo problem in the slab geometry, the method is also applied to an isotropic-scattering problem in the x-y geometry. These results are compared with discrete S/sub N/ (ANISN or TWOTRAN-II) results, and for the problems considered here, the proposed method is found to be quite effective. Thus, the method appears to hold considerable potential for future applications. (auth)
An iterative method for solving neutron transport equation
International Nuclear Information System (INIS)
Simovic, R.
1988-01-01
Assuming a plane geometry and isotropic form of the neutron scattering function a new iterative method for solving the one-velocity transport equation is developed. The basic point of this method is the definition of the neutron fluxes Φ n± (x, μ, μ 0 ) representing the space dependent angular distributions of neutrons scattered n-times in directions μ 0. This makes possible to construct a new system for successive calculation of Φ n± (x, μ, μ 0 ) starting with the flux of un-collided neutrons. This treatment was shown to be more efficient than the ordinary one. As examples, the infinite medium Green functions and reflection coefficients of half space were calculated and analyzed. (author)
International Nuclear Information System (INIS)
Allen, P.B.; Chakraborty, B.
1981-01-01
Metals with high resistivity (approx.100 μΩ cm) seem to show weaker variation of resistivity (as a function of temperature and perhaps also static disorder) than predicted by semiclassical (Bloch-Boltzmann) theory (SBT). We argue that the effect is not closely related to Anderson localization, and therefore does not necessarily signify a failure of the independent collision approximation. Instead we propose a failure of the semiclassical acceleration and conduction approximations. A generalization of Boltzmann theory is made which includes quantum (interband) acceleration and conduction, as well as a complete treatment of interband-collision effects (within the independent-collision approximation). The interband terms enhance short-time response to E fields (because the theory satisfies the exact f-sum rule instead of the semiclassical approximation to it). This suggests that the additional conductivity, as expressed phenomenologically by the shunt resistor model, is explained by interband effects. The scattering operator is complex, its imaginary parts being related to energy-band renormalization caused by the disorder. Charge conservation is respected and thermal equilibrium is restored by the collision operator. The theory is formally solved for the leading corrections to SBT, which have the form of a shunt resistor model. At infrared frequencies, the conductivity mostly obeys the Drude law sigma(ω)approx.sigma(0)(1-iωtau) -1 , except for one term which goes as (1-iωtau) -2
International Nuclear Information System (INIS)
Chepe P, M.; Xolocostli M, J. V.; Gomez T, A. M.; Del Valle G, E.
2016-09-01
Due to the current computing power, the deterministic codes for analyzing nuclear reactors that have been used for several years are becoming more relevant, since much more precise solution techniques can be used; the last century would have been very difficult, since memory and processor capacities were very limited or had high prices on the components. In this work we analyze the effect of the anisotropic dispersion of the effective dispersion section, compared to the isotropic dispersion. The anisotropy implementation was carried out in the AZTRAN transport code, which is part of the AZTLAN platform for nuclear reactors analysis (in development). The AZTRAN code solves the Boltzmann transport equation in one, two and three dimensions at steady state, using the multi-group technique for energy discretization, the RTN-0 nodal method in spatial discretization and for angular discretization the discrete ordinates without considering anisotropy originally. The effect of the anisotropy dispersion on the effective multiplication factor and the axial and radial power on a fuel assembly BWR type are analyzed. (Author)
Suzuki, Hideyuki; Imura, Jun-ichi; Horio, Yoshihiko; Aihara, Kazuyuki
2013-01-01
The chaotic Boltzmann machine proposed in this paper is a chaotic pseudo-billiard system that works as a Boltzmann machine. Chaotic Boltzmann machines are shown numerically to have computing abilities comparable to conventional (stochastic) Boltzmann machines. Since no randomness is required, efficient hardware implementation is expected. Moreover, the ferromagnetic phase transition of the Ising model is shown to be characterised by the largest Lyapunov exponent of the proposed system. In general, a method to relate probabilistic models to nonlinear dynamics by derandomising Gibbs sampling is presented. PMID:23558425
Generalized fluid equations for parallel transport in collisional to weakly collisional plasmas
International Nuclear Information System (INIS)
Zawaideh, E.S.
1985-01-01
A new set of two-fluid equations which are valid from collisional to weakly collisional limits are derived. Starting from gyrokinetic equations in flux coordinates with no zeroth order drifts, a set of moment equations describing plasma transport along the field lines of a space and time dependent magnetic field are derived. No restriction on the anisotropy of the ion distribution function is imposed. In the highly collisional limit, these equations reduce to those of Braginskii while in the weakly collisional limit, they are similar to the double adiabatic or Chew, Goldberger, and Low (CGL) equations. The new transport equations are used to study the effects of collisionality, magnetic field structure, and plasma anisotropy on plasma parallel transport. Numerical examples comparing these equations with conventional transport equations show that the conventional equations may contain large errors near the sound speed (M approx. = 1). It is also found that plasma anisotropy, which is not included in the conventional equations, is a critical parameter in determining plasma transport in varying magnetic field. The new transport equations are also used to study axial confinement in multiple mirror devices from the strongly to weakly collisional regime. A new ion conduction model was worked out to extend the regime of validity of the transport equations to the low density multiple mirror regime
Application of singular eigenfunctions method of neutron transport theory
International Nuclear Information System (INIS)
Simovicj, R.
1974-11-01
A possibility of applying analitical method of neutron transport theory was investigated in research of processes governed by linearized Boltzmann equation, especially in semiconducting media. Analitical singular eigenfunctions method was developed and improved. It was applied in solving the electron transport equation for nonpolar semiconductors in case of constant high electrical field. Energy and angular distribution of high energy electrons was obtained
Immiscible multicomponent lattice Boltzmann model for fluids with ...
Indian Academy of Sciences (India)
Abstract. An immiscible multicomponent lattice Boltzmann model is developed for fluids with high relaxation time ratios, which is based on the model proposed by Shan and Chen (SC). In the SC model, an interaction potential between particles is incorporated into the discrete lattice. Boltzmann equation through the ...
Neutron wave reflexions in interface media with transport equation P1 approximation
International Nuclear Information System (INIS)
Oliveira Vellozo, S. de.
1977-01-01
The propagation of neutron waves in non multiplying media is investigated employing the Telegrapher's equation obtained from the P 1 approximation of the time, space and energy dependent Boltzmann equation. Solution of the problem of propagation of sinusoidally modulated source incident on one face of the medium is obtained by analysing the Fourier component of a pulsed source introduced, for the corresponding frequency. The amplitude and the phase of the flux are computed as a function of frequency in media consisting of one, two and three regions in order to study the effects of reflection at the interfaces. The results are compared with those from the Diffusion approximation obtained by neglecting the term involving the second order time derivative. (author)
Elliptic random-walk equation for suspension and tracer transport in porous media
DEFF Research Database (Denmark)
Shapiro, Alexander; Bedrikovetsky, P. G.
2008-01-01
We propose a new approach to transport of the suspensions and tracers in porous media. The approach is based on a modified version of the continuous time random walk (CTRW) theory. In the framework of this theory we derive an elliptic transport equation. The new equation contains the time...... of the CTRW theory. (C) 2008 Elsevier B.V. All rights reserved....
Energy Technology Data Exchange (ETDEWEB)
Wilcox, T. P.
1973-09-20
The code ANISN-L solves the one-dimensional, multigroup, time-independent Boltzmann transport equation by the method of discrete ordinates. In problems involving a fissionable system, it can calculate the system multiplication or alpha. In such cases, it is also capable of determining isotopic concentrations, radii, zone widths, or buckling in order to achieve a given multiplication or alpha. The code may also calculate fluxes caused by a specified fixed source. Neutron, gamma, and coupled neutron--gamma problems may be solved in either the forward or adjoint (backward) modes. Cross sections describing upscatter, as well as the usual downscatter, may be employed. This report describes the use of ANISN-L; this is a revised version of ANISN which handles both large and small problems efficiently on CDC-7600 computers. (RWR)
Limitations of Boltzmann's principle
International Nuclear Information System (INIS)
Lavenda, B.H.
1995-01-01
The usual form of Boltzmann's principle assures that maximum entropy, or entropy reduction, occurs with maximum probability, implying a unimodal distribution. Boltzmann's principle cannot be applied to nonunimodal distributions, like the arcsine law, because the entropy may be concave only over a limited portion of the interval. The method of subordination shows that the arcsine distribution corresponds to a process with a single degree of freedom, thereby confirming the invalidation of Boltzmann's principle. The fractalization of time leads to a new distribution in which arcsine and Cauchy distributions can coexist simultaneously for nonintegral degrees of freedom between √2 and 2
Forms of Approximate Radiation Transport
Brunner, G
2002-01-01
Photon radiation transport is described by the Boltzmann equation. Because this equation is difficult to solve, many different approximate forms have been implemented in computer codes. Several of the most common approximations are reviewed, and test problems illustrate the characteristics of each of the approximations. This document is designed as a tutorial so that code users can make an educated choice about which form of approximate radiation transport to use for their particular simulation.
Tian, Zhiwei; Wang, Junye
2018-02-01
Dissolution and precipitation of rock matrix are one of the most important processes of geological CO2 sequestration in reservoirs. They change connections of pore channels and properties of matrix, such as bulk density, microporosity and hydraulic conductivity. This study builds on a recently developed multi-layer model to account for dynamic changes of microporous matrix that can accurately predict variations in hydraulic properties and reaction rates due to dynamic changes in matrix porosity and pore connectivity. We apply the model to simulate the dissolution and precipitation processes of rock matrix in heterogeneous porous media to quantify (1) the effect of the reaction rate on dissolution and matrix porosity, (2) the effect of microporous matrix diffusion on the overall effective diffusion and (3) the effect of heterogeneity on hydraulic conductivity. The results show the CO2 storage influenced by factors including the matrix porosity change, reaction front movement, velocity and initial properties. We also simulated dissolution-induced permeability enhancement as well as effects of initial porosity heterogeneity. The matrix with very low permeability, which can be unresolved on X-ray CT, do contribute to flow patterns and dispersion. The concentration of reactant H+ increases along the main fracture paths where the flow velocity increases. The product Ca++ shows the inversed distribution pattern against the H+ concentration. This demonstrates the capability of this model to investigate the complex CO2 reactive transport in real 3D heterogeneous porous media.
Boltzmann-Electron Model in Aleph.
Energy Technology Data Exchange (ETDEWEB)
Hughes, Thomas Patrick; Hooper, Russell
2014-11-01
We apply the Boltzmann-electron model in the electrostatic, particle-in-cell, finite- element code Aleph to a plasma sheath. By assuming a Boltzmann energy distribution for the electrons, the model eliminates the need to resolve the electron plasma fre- quency, and avoids the numerical "grid instability" that can cause unphysical heating of electrons. This allows much larger timesteps to be used than with kinetic electrons. Ions are treated with the standard PIC algorithm. The Boltzmann-electron model re- quires solution of a nonlinear Poisson equation, for which we use an iterative Newton solver (NOX) from the Trilinos Project. Results for the spatial variation of density and voltage in the plasma sheath agree well with an analytic model
Solution and study of nodal neutron transport equation applying the LTSN-DiagExp method
International Nuclear Information System (INIS)
Hauser, Eliete Biasotto; Pazos, Ruben Panta; Vilhena, Marco Tullio de; Barros, Ricardo Carvalho de
2003-01-01
In this paper we report advances about the three-dimensional nodal discrete-ordinates approximations of neutron transport equation for Cartesian geometry. We use the combined collocation method of the angular variables and nodal approach for the spatial variables. By nodal approach we mean the iterated transverse integration of the S N equations. This procedure leads to the set of one-dimensional averages angular fluxes in each spatial variable. The resulting system of equations is solved with the LTS N method, first applying the Laplace transform to the set of the nodal S N equations and then obtained the solution by symbolic computation. We include the LTS N method by diagonalization to solve the nodal neutron transport equation and then we outline the convergence of these nodal-LTS N approximations with the help of a norm associated to the quadrature formula used to approximate the integral term of the neutron transport equation. (author)
Stability of stationary inverse transport equation in diffusion scaling
Chen, Ke; Li, Qin; Wang, Li
2018-02-01
We consider the inverse problem of reconstructing the optical parameters for the stationary radiative transfer equation (RTE) from velocity-averaged measurement. The RTE often contains multiple scales, characterized by the magnitude of a dimensionless parameter—the Knudsen number ( \
Sun, Shuyu
2012-06-02
A new technique for the numerical solution of the partial differential equations governing transport phenomena in porous media is introduced. In this technique, the governing equations as depicted from the physics of the problem are used without extra manipulations. In other words, there is no need to reduce the number of governing equations by some sort of mathematical manipulations. This technique enables the separation of the physics part of the problem and the solver part, which makes coding more robust and could be used in several other applications with little or no modifications (e.g., multi-phase flow in porous media). In this method, one abandons the need to construct the coefficient matrix for the pressure equation. Alternatively, the coefficients are automatically generated within the solver routine. We show examples of using this technique to solving several flow problems in porous media.
Nonlocal Transport Processes and the Fractional Cattaneo-Vernotte Equation
Directory of Open Access Journals (Sweden)
J. F. Gómez Aguilar
2016-01-01
Full Text Available The Cattaneo-Vernotte equation is a generalization of the heat and particle diffusion equations; this mathematical model combines waves and diffusion with a finite velocity of propagation. In disordered systems the diffusion can be anomalous. In these kinds of systems, the mean-square displacement is proportional to a fractional power of time not equal to one. The anomalous diffusion concept is naturally obtained from diffusion equations using the fractional calculus approach. In this paper we present an alternative representation of the Cattaneo-Vernotte equation using the fractional calculus approach; the spatial-time derivatives of fractional order are approximated using the Caputo-type derivative in the range (0,2]. In this alternative representation we introduce the appropriate fractional dimensional parameters which characterize consistently the existence of the fractional space-time derivatives into the fractional Cattaneo-Vernotte equation. Finally, consider the Dirichlet conditions, the Fourier method was used to find the full solution of the fractional Cattaneo-Vernotte equation in analytic way, and Caputo and Riesz fractional derivatives are considered. The advantage of our representation appears according to the comparison between our model and models presented in the literature, which are not acceptable physically due to the dimensional incompatibility of the solutions. The classical cases are recovered when the fractional derivative exponents are equal to 1.
Differential equation of exospheric lateral transport and its application to terrestrial hydrogen
Hodges, R. R., Jr.
1973-01-01
The differential equation description of exospheric lateral transport of Hodges and Johnson is reformulated to extend its utility to light gases. Accuracy of the revised equation is established by applying it to terrestrial hydrogen. The resulting global distributions for several static exobase models are shown to be essentially the same as those that have been computed by Quessette using an integral equation approach. The present theory is subsequently used to elucidate the effects of nonzero lateral flow, exobase rotation, and diurnal tidal winds on the hydrogen distribution. Finally it is shown that the differential equation of exospheric transport is analogous to a diffusion equation. Hence it is practical to consider exospheric transport as a continuation of thermospheric diffusion, a concept that alleviates the need for an artificial exobase dividing thermosphere and exosphere.
Gluon transport equations with condensate in the small angle approximation
Energy Technology Data Exchange (ETDEWEB)
Blaizot, Jean-Paul [Institut de Physique Théorique (IPhT), CNRS/URA2306, CEA Saclay, F-91191 Gif-sur-Yvette (France); Liao, Jinfeng [Physics Department and Center for Exploration of Energy and Matter, Indiana University, 2401 N Milo B. Sampson Lane, Bloomington, IN 47408 (United States); RIKEN BNL Research Center, Bldg. 510A, Brookhaven National Laboratory, Upton, NY 11973 (United States)
2016-05-15
We derive the set of kinetic equations that control the evolution of gluons in the presence of a condensate. We show that the dominant singularities remain logarithmic when the scattering involves particles in the condensate. This allows us to define a consistent small angle approximation.
Application of Trotter approximation for solving time dependent neutron transport equation
International Nuclear Information System (INIS)
Stancic, V.
1987-01-01
A method is proposed to solve multigroup time dependent neutron transport equation with arbitrary scattering anisotropy. The recurrence relation thus obtained is simple, numerically stable and especially suitable for treatment of complicated geometries. (author)
Navier-Stokes Dynamics by a Discrete Boltzmann Model
Rubinstein, Robet
2010-01-01
This work investigates the possibility of particle-based algorithms for the Navier-Stokes equations and higher order continuum approximations of the Boltzmann equation; such algorithms would generalize the well-known Pullin scheme for the Euler equations. One such method is proposed in the context of a discrete velocity model of the Boltzmann equation. Preliminary results on shock structure are consistent with the expectation that the shock should be much broader than the near discontinuity predicted by the Pullin scheme, yet narrower than the prediction of the Boltzmann equation. We discuss the extension of this essentially deterministic method to a stochastic particle method that, like DSMC, samples the distribution function rather than resolving it completely.
TLC scheme for numerical solution of the transport equation on equilateral triangular meshes
International Nuclear Information System (INIS)
Walters, W.F.
1983-01-01
A new triangular linear characteristic TLC scheme for numerically solving the transport equation on equilateral triangular meshes has been developed. This scheme uses the analytic solution of the transport equation in the triangle as its basis. The data on edges of the triangle are assumed linear as is the source representation. A characteristic approach or nodal approach is used to obtain the analytic solution. Test problems indicate that the new TLC is superior to the widely used DITRI scheme for accuracy
Matin, Rastin; Misztal, Marek K.; Hernandez-Garcia, Anier; Mathiesen, Joachim
2015-11-01
Many hydrodynamic phenomena such as flows at micron scale in porous media, large Reynolds numbers flows, non-Newtonian and multiphase flows have been simulated numerically using the lattice Boltzmann method. By solving the Lattice Boltzmann Equation on three-dimensional unstructured meshes, we efficiently model single-phase fluid flow in real rock samples. We use the flow field to estimate the permeability and further investigate the anomalous dispersion of passive tracers in porous media. By extending our single-phase model with a free-energy based method, we are able to simulate binary systems with moderate density ratios in a thermodynamically consistent way. In this presentation we will present our recent results on both anomalous transport and multiphase segregation.
Lindley, David
2002-01-01
Ludwig Boltzmann (1844-1906) è il fisico e matematico austriaco che negli ultimi decenni dell'Ottocento e ancora ai primi del Novecento lottò contro l'opinione dominante tra gli scienziati dell'epoca per affermare la teoria atomica della materia. È noto come con Albert Einstein e fino a oggi la fisica si sia sviluppata e abbia celebrato i propri trionfi lungo le linee anticipate da Boltzmann. La controversia con Mach non riguardava soltanto l'esistenza degli atomi, ma l'intero modo di fare fisica che Boltzmann non riteneva di dover limitare allo studio di quantità misurabili, introducendo invece spiegazioni più elaborate basate su ipotesi più ampie.
A new derivation of Akcasu's 'MLP' equations for 1-D particle transport in stochastic media
International Nuclear Information System (INIS)
Larsen, Edward W.; Prinja, Anil K.
2008-01-01
This paper presents a new derivation of Akcasu's modified Levermore-Pomraning (MLP) model, which estimates the ensemble-averaged angular flux for particle transport problems in 1-D geometrically random media. The significant new feature of the MLP equations is that, unlike the earlier Levermore-Pomraning (LP) model, the MLP equations are exact for certain classes of problems with scattering. We also show, via asymptotic analyses, that the MLP equations are accurate in the atomic mix and diffusion limits
Hansen, S. K.; Berkowitz, B.
2014-12-01
The continuous time random walk (CTRW) formalism is a valuable tool for modeling both conservative and reversibly sorbing solute transport in heterogeneous porous media, underpinning both Eulerian (integrodifferential equation-based) and Lagrangian (particle tracking) approaches to transport modeling. More recently, there has been interest in modeling transport with irreversible reactions, and Lagrangian CTRW-based numerical models have been successfully applied to these problems. However, a corresponding Eulerian theory has been lacking. We recently developed Eulerian governing equations in the presence of irreversible bimolecular reactions, via the device of upscaling transport and treating reactions at a finer scale. The technique is generally valid, even in porous media that do not have an obvious division of length scales, subject to certain smoothness assumptions on the solution. We show that the governing equations we develop simplify, under appropriate circumstances, to both the generalized master equation for the unreactive CTRW and to the advection-dispersion-reaction equation. We also present a numerical corroboration of our development and its underlying smoothness assumptions obtained using a novel, indirect particle-tracking / partial differential equation hybrid technique. We discuss the implications of the new governing equations for practical reactive transport modeling and for conceptualization of subsurface processes, and highlight connections to other approaches. As applicable, we will also discuss aspects of numerical implementation.
The H-N method for solving linear transport equation: theory and application
International Nuclear Information System (INIS)
Kaskas, A.; Gulecyuz, M.C.; Tezcan, C.
2002-01-01
The system of singular integral equation which is obtained from the integro-differential form of the linear transport equation as a result of Placzec lemma is solved. Application are given using the exit distributions and the infinite medium Green's function. The same theoretical results are also obtained with the use of the singular eigenfunction of the method of elementary solutions
Energy Technology Data Exchange (ETDEWEB)
Zabadal, J. E-mail: jorge.zabadal@ufrgs.br; Vilhena, M.T. E-mail: vilhena@mat.ufrgs.br; Segatto, C.F. E-mail: cynthia@mat.ufrgs.br; Pazos, R.P.Ruben Panta. E-mail: rpp@mat.pucrgs.br
2002-07-01
In this work we construct a closed-form solution for the multidimensional transport equation rewritten in integral form which is expressed in terms of a fractional derivative of the angular flux. We determine the unknown order of the fractional derivative comparing the kernel of the integral equation with the one of the Riemann-Liouville definition of fractional derivative. We report numerical simulations.
A derivation of Akcasu's 'MLP' equations for 1-D particle transport in stochastic media
International Nuclear Information System (INIS)
Larsen, E. W.; Prinja, A. K.
2007-01-01
This paper presents a new derivation of Akcasu's Modified Levermore-Pomraning (MLP) model for estimating the ensemble-averaged angular flux for particle transport problems in 1-D geometrically random media. The significant new feature of the MLP equations is that, unlike the earlier Levermore-Pomraning (LP) model, the MLP equations are exact for certain classes of problems with scattering. (authors)
Role of Dielectric Constant on Ion Transport: Reformulated Arrhenius Equation
Directory of Open Access Journals (Sweden)
Shujahadeen B. Aziz
2016-01-01
Full Text Available Solid and nanocomposite polymer electrolytes based on chitosan have been prepared by solution cast technique. The XRD results reveal the occurrence of complexation between chitosan (CS and the LiTf salt. The deconvolution of the diffractogram of nanocomposite solid polymer electrolytes demonstrates the increase of amorphous domain with increasing alumina content up to 4 wt.%. Further incorporation of alumina nanoparticles (6 to 10 wt.% Al2O3 results in crystallinity increase (large crystallite size. The morphological (SEM and EDX analysis well supported the XRD results. Similar trends of DC conductivity and dielectric constant with Al2O3 concentration were explained. The TEM images were used to explain the phenomena of space charge and blocking effects. The reformulated Arrhenius equation (σ(ε′,T=σoexp(-Ea/KBε′T was proposed from the smooth exponential behavior of DC conductivity versus dielectric constant at different temperatures. The more linear behavior of DC conductivity versus 1000/(ɛ′×T reveals the crucial role of dielectric constant in Arrhenius equation. The drawbacks of Arrhenius equation can be understood from the less linear behavior of DC conductivity versus 1000/T. The relaxation processes have been interpreted in terms of Argand plots.
Stability of Nonlinear Wave Patterns to the Bipolar Vlasov-Poisson-Boltzmann System
Li, Hailiang; Wang, Yi; Yang, Tong; Zhong, Mingying
2018-04-01
The main purpose of the present paper is to investigate the nonlinear stability of viscous shock waves and rarefaction waves for the bipolar Vlasov-Poisson-Boltzmann (VPB) system. To this end, motivated by the micro-macro decomposition to the Boltzmann equation in Liu and Yu (Commun Math Phys 246:133-179, 2004) and Liu et al. (Physica D 188:178-192, 2004), we first set up a new micro-macro decomposition around the local Maxwellian related to the bipolar VPB system and give a unified framework to study the nonlinear stability of the basic wave patterns to the system. Then, as applications of this new decomposition, the time-asymptotic stability of the two typical nonlinear wave patterns, viscous shock waves and rarefaction waves are proved for the 1D bipolar VPB system. More precisely, it is first proved that the linear superposition of two Boltzmann shock profiles in the first and third characteristic fields is nonlinearly stable to the 1D bipolar VPB system up to some suitable shifts without the zero macroscopic mass conditions on the initial perturbations. Then the time-asymptotic stability of the rarefaction wave fan to compressible Euler equations is proved for the 1D bipolar VPB system. These two results are concerned with the nonlinear stability of wave patterns for Boltzmann equation coupled with additional (electric) forces, which together with spectral analysis made in Li et al. (Indiana Univ Math J 65(2):665-725, 2016) sheds light on understanding the complicated dynamic behaviors around the wave patterns in the transportation of charged particles under the binary collisions, mutual interactions, and the effect of the electrostatic potential forces.
Diffusion and transport phenomena in a collisional magnetoplasma ...
Indian Academy of Sciences (India)
Abstract. Boltzmann-transport equation is analytically solved for two-component mag- netoplasma using Chapman–Enskog analysis to include collisional diffusion transport hav- ing anisotropies in both streaming velocity and temperature components. The modified collisional integrals are analytically solved with flux ...
Diffusion and transport phenomena in a collisional magnetoplasma ...
Indian Academy of Sciences (India)
Boltzmann-transport equation is analytically solved for two-component magnetoplasma using Chapman-Enskog analysis to include collisional diffusion transport having anisotropies in both streaming velocity and temperature components. The modified collisional integrals are analytically solved with flux integrals and ...
dispersion equation parameters of solute transport in agricultural ...
African Journals Online (AJOL)
Jane
2011-08-31
Aug 31, 2011 ... 1School of Environmental and Municipal Engineering, Xi'an University of Architecture and Technology, Xi'an 710055,. China. ... In this paper, a simple method was proposed to estimate both D and R, and the validity was verified by ... One-dimensional transient solute transport through a homogeneous ...
A functional analytic approach to the linear transport equation
Hangelbroek, Rutger Jan
1973-01-01
Since its introductíon by K,M. Case the method of singular eigen funcion expansions has proved itself to be a practical tool for solving the simpler types of transport problems. Being straight -forward and reminiscent of well-known techniques in other fields of mathematical physics the method
Maxwell iteration for the lattice Boltzmann method with diffusive scaling
Zhao, Weifeng; Yong, Wen-An
2017-03-01
In this work, we present an alternative derivation of the Navier-Stokes equations from Bhatnagar-Gross-Krook models of the lattice Boltzmann method with diffusive scaling. This derivation is based on the Maxwell iteration and can expose certain important features of the lattice Boltzmann solutions. Moreover, it will be seen to be much more straightforward and logically clearer than the existing approaches including the Chapman-Enskog expansion.
Implicitly charge-conserving solver for Boltzmann electrons
International Nuclear Information System (INIS)
Carlsson, Johan; Manente, Marco; Pavarin, Daniele
2009-01-01
An implicitly charge-conserving algorithm has been developed for solving the nonlinear Poisson equation that results from the use of Boltzmann electrons. The new algorithm solves for the Boltzmann density parameter and, in the case of a Neumann boundary condition, the surface-charge density, simultaneously as it solves for the discretized electrostatic potential. Numerical stability is demonstrated for time steps exceeding the electron plasma period and spatial resolutions much coarser than the Debye length.
Application of longshore transport equations to Andhra coast, East coast of India
Digital Repository Service at National Institute of Oceanography (India)
Chandramohan, P.; Nayak, B.U.; RamaRaju, V.S.
Ship-reported waves published in the Indian Daily Weather Report are compiled for a period of 16 years and are used for the estimation of the longshore transport rate. Using the two well known longshore transport equations, viz., the Shore...
Resolution of the neutron transport equation by massively parallel computer in the Cronos code
International Nuclear Information System (INIS)
Zardini, D.M.
1996-01-01
The feasibility of neutron transport problems parallel resolution by CRONOS code's SN module is here studied. In this report we give the first data about the parallel resolution by angular variable decomposition of the transport equation. Problems about parallel resolution by spatial variable decomposition and memory stage limits are also explained here. (author)
Least-squares finite element discretizations of neutron transport equations in 3 dimensions
Energy Technology Data Exchange (ETDEWEB)
Manteuffel, T.A [Univ. of Colorado, Boulder, CO (United States); Ressel, K.J. [Interdisciplinary Project Center for Supercomputing, Zurich (Switzerland); Starkes, G. [Universtaet Karlsruhe (Germany)
1996-12-31
The least-squares finite element framework to the neutron transport equation introduced in is based on the minimization of a least-squares functional applied to the properly scaled neutron transport equation. Here we report on some practical aspects of this approach for neutron transport calculations in three space dimensions. The systems of partial differential equations resulting from a P{sub 1} and P{sub 2} approximation of the angular dependence are derived. In the diffusive limit, the system is essentially a Poisson equation for zeroth moment and has a divergence structure for the set of moments of order 1. One of the key features of the least-squares approach is that it produces a posteriori error bounds. We report on the numerical results obtained for the minimum of the least-squares functional augmented by an additional boundary term using trilinear finite elements on a uniform tesselation into cubes.
Training Restricted Boltzmann Machines
DEFF Research Database (Denmark)
Fischer, Asja
Restricted Boltzmann machines (RBMs) are probabilistic graphical models that can also be interpreted as stochastic neural networks. Training RBMs is known to be challenging. Computing the likelihood of the model parameters or its gradient is in general computationally intensive. Thus, training...
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 9. Entropy à la Boltzmann. Jayanta K Bhattacharjee. General Article Volume 6 Issue 9 September 2001 pp 19-34. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/006/09/0019-0034. Author Affiliations.
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 9. Entropy à la Boltzmann. Jayanta K Bhattacharjee. General Article Volume 6 Issue 9 September 2001 pp 19-34. Fulltext. Click here to view fulltext PDF. Permanent link: https://www.ias.ac.in/article/fulltext/reso/006/09/0019-0034 ...
Stability result for Navier-Stokes equations with entropy transport
Czech Academy of Sciences Publication Activity Database
Michálek, Martin
2015-01-01
Roč. 17, č. 2 (2015), s. 279-285 ISSN 1422-6928 R&D Projects: GA ČR GA13-00522S Institutional support: RVO:67985840 Keywords : compressible Navier-Stokes system * entropy transport * effective viscous flux Subject RIV: BA - General Mathematics Impact factor: 1.023, year: 2015 http://link.springer.com/article/10.1007%2Fs00021-015-0205-x
A Unified Theory of Non-Ideal Gas Lattice Boltzmann Models
Luo, Li-Shi
1998-01-01
A non-ideal gas lattice Boltzmann model is directly derived, in an a priori fashion, from the Enskog equation for dense gases. The model is rigorously obtained by a systematic procedure to discretize the Enskog equation (in the presence of an external force) in both phase space and time. The lattice Boltzmann model derived here is thermodynamically consistent and is free of the defects which exist in previous lattice Boltzmann models for non-ideal gases. The existing lattice Boltzmann models for non-ideal gases are analyzed and compared with the model derived here.
Generalized fluid equations for parallel transport in collisional to weakly collisional plasmas
International Nuclear Information System (INIS)
Zawaideh, E.; Najmabadi, F.; Conn, R.W.
1986-01-01
A new set of two-fluid equations that are valid from collisional to weakly collisional limits is derived. Starting from gyrokinetic equations in flux coordinates with no zero-order drifts, a set of moment equations describing plasma transport along the field lines of a space- and time-dependent magnetic field is derived. No restriction on the anisotropy of the ion distribution function is imposed. In the highly collisional limit, these equations reduce to those of Braginskii, while in the weakly collisional limit they are similar to the double adiabatic or Chew, Goldberger, and Low (CGL) equations [Proc. R. Soc. London, Ser. A 236, 112 (1956)]. The new set of equations also exhibits a physical singularity at the sound speed. This singularity is used to derive and compute the sound speed. Numerical examples comparing these equations with conventional transport equations show that in the limit where the ratio of the mean free path lambda to the scale length of the magnetic field gradient L/sub B/ approaches zero, there is no significant difference between the solution of the new and conventional transport equations. However, conventional fluid equations, ordinarily expected to be correct to the order (lambda/L/sub B/) 2 , are found to have errors of order (lambda/L/sub u/) 2 = (lambda/L/sub B/) 2 /(1-M 2 ) 2 , where L/sub u/ is the scale length of the flow velocity gradient and M is the Mach number. As such, the conventional equations may contain large errors near the sound speed (Mroughly-equal1)
International Nuclear Information System (INIS)
Horii, Zene
2002-01-01
By generalization of the Kawasaki-Ohta equation representing the interface dynamics, we report formulation of equations, which express mass transports, deterministic and stochastic, for nonlinear lattices. The equations are written characteristically by flow variable representations defined in the Letter. We found that the KdV equation and the Burgers equation, formulated by the flow variables, express mass transports in hydrodynamics and in stochastic processes, respectively. The representations lead to the conclusion that in nonequilibria we should observe a change not in a concentration but in concentration flows
Singh, S.; Karchani, A.; Myong, R. S.
2018-01-01
The rotational mode of molecules plays a critical role in the behavior of diatomic and polyatomic gases away from equilibrium. In order to investigate the essence of the non-equilibrium effects, the shock-vortex interaction problem was investigated by employing an explicit modal discontinuous Galerkin method. In particular, the first- and second-order constitutive models for diatomic and polyatomic gases derived rigorously from the Boltzmann-Curtiss kinetic equation were solved in conjunction with the physical conservation laws. As compared with a monatomic gas, the non-equilibrium effects result in a substantial change in flow fields in both macroscale and microscale shock-vortex interactions. Specifically, the computational results showed three major effects of diatomic and polyatomic gases on the shock-vortex interaction: (i) the generation of the third sound waves and additional reflected shock waves with strong and enlarged expansion, (ii) the dominance of viscous vorticity generation, and (iii) an increase in enstrophy with increasing bulk viscosity, related to the rotational mode of gas molecules. Moreover, it was shown that there is a significant discrepancy in flow fields between the microscale and macroscale shock-vortex interactions in diatomic and polyatomic gases. The quadrupolar acoustic wave source structures, which are typically observed in macroscale shock-vortex interactions, were not found in any microscale shock-vortex interactions. The physics of the shock-vortex interaction was also investigated in detail to examine vortex deformation and evolution dynamics over an incident shock wave. A comparative study of first- and second-order constitutive models was also conducted for the enstrophy and dissipation rate. Finally, the study was extended to the shock-vortex pair interaction case to examine the effects of pair interaction on vortex deformation and evolution dynamics.
DYNAMIQUE DE LA FISSION PAR LES EQUATIONS DE TRANSPORT
Directory of Open Access Journals (Sweden)
F BENRACHI
2000-06-01
Full Text Available A haute énergie d’excitation, le modèle statistique utilisé pour décrire la compétition entre la fission et l’évaporation de particules légères cesse d’être valable. Le désaccord entre les prédictions du modèle statistique et l’expérience est très grand et atteint jusqu’à trois fois l’ordre de grandeur. Du point de vue physique, la fission est un processus dynamique et pas purement statistique. Un autre outil mathématique est alors introduit: les équations de transport. La description de la dynamique de la fission à l’aide des équations de transport a permis d’obtenir des résultats satisfaisants pour les multiplicités des neutrons. Pour les particules chargées, il faut prendre en compte la déformation et la rotation collective du noyau dans l’évaluation des largeurs d’émission.
L2-stability of the Vlasov-Maxwell-Boltzmann system near global Maxwellians
International Nuclear Information System (INIS)
Ha, Seung-Yeal; Xiao, Qinghua; Xiong, Linjie; Zhao, Huijiang
2013-01-01
We present a L 2 -stability theory of the Vlasov-Maxwell-Boltzmann system for the two-species collisional plasma. We show that in a perturbative regime of a global Maxwellian, the L 2 -distance between two strong solutions can be controlled by that between initial data in a Lipschitz manner. Our stability result extends earlier results [Ha, S.-Y. and Xiao, Q.-H., “A revisiting to the L 2 -stability theory of the Boltzmann equation near global Maxwellians,” (submitted) and Ha, S.-Y., Yang, X.-F., and Yun, S.-B., “L 2 stability theory of the Boltzmann equation near a global Maxwellian,” Arch. Ration. Mech. Anal. 197, 657–688 (2010)] on the L 2 -stability of the Boltzmann equation to the Boltzmann equation coupled with self-consistent external forces. As a direct application of our stability result, we show that classical solutions in Duan et al. [“Optimal large-time behavior of the Vlasov-Maxwell-Boltzmann system in the whole space,” Commun. Pure Appl. Math. 24, 1497–1546 (2011)] and Guo [“The Vlasov-Maxwell-Boltzmann system near Maxwellians,” Invent. Math. 153(3), 593–630 (2003)] satisfy a uniform L 2 -stability estimate. This is the first result on the L 2 -stability of the Boltzmann equation coupled with self-consistent field equations in three dimensions
Kalinin, M. S.; Krainev, M. B.
2014-07-01
The axisymmetric transport equation for galactic cosmic rays (GCR) is offered as a consequence of the three-dimensional (in spatial coordinates) equation, where three-dimensionality is caused only by the presence of the current sheet of arbitrary shape in the heliosphere. A distinctive feature of the offered equation is that it takes into account a source connected with variations in the GCR three-dimensional intensity. The equation can be used for a description of GCL modulation processes in the heliosphere.
Resolution de l'equation de transport et applications dans le plasma ionospherique
Lilensten, Jean
1989-01-01
Two major sources of ionization occur in the high latitude ionosphere : the electrons created by solar photo-ionization, and the precipitated electrons. The transport equation describing their evolution is described, and a model of resolution of this equation is discussed and tested. Using this program, we compute the diurnal secondary electron production for different solar fluxes, and we propose a simple mathematical model of it. Then, we study the thermal electron energy ,budget, using a p...
Fischer, J.; Fellmuth, B.; Gaiser, C.; Zandt, T.; Pitre, L.; Sparasci, F.; Plimmer, M. D.; de Podesta, M.; Underwood, R.; Sutton, G.; Machin, G.; Gavioso, R. M.; Madonna Ripa, D.; Steur, P. P. M.; Qu, J.; Feng, X. J.; Zhang, J.; Moldover, M. R.; Benz, S. P.; White, D. R.; Gianfrani, L.; Castrillo, A.; Moretti, L.; Darquié, B.; Moufarej, E.; Daussy, C.; Briaudeau, S.; Kozlova, O.; Risegari, L.; Segovia, J. J.; Martín, M. C.; del Campo, D.
2018-04-01
The International Committee for Weights and Measures (CIPM), at its meeting in October 2017, followed the recommendation of the Consultative Committee for Units (CCU) on the redefinition of the kilogram, ampere, kelvin and mole. For the redefinition of the kelvin, the Boltzmann constant will be fixed with the numerical value 1.380 649 × 10-23 J K-1. The relative standard uncertainty to be transferred to the thermodynamic temperature value of the triple point of water will be 3.7 × 10-7, corresponding to an uncertainty in temperature of 0.10 mK, sufficiently low for all practical purposes. With the redefinition of the kelvin, the broad research activities of the temperature community on the determination of the Boltzmann constant have been very successfully completed. In the following, a review of the determinations of the Boltzmann constant k, important for the new definition of the kelvin and performed in the last decade, is given.
Variance estimates for transport in stochastic media by means of the master equation
International Nuclear Information System (INIS)
Pautz, S. D.; Franke, B. C.; Prinja, A. K.
2013-01-01
The master equation has been used to examine properties of transport in stochastic media. It has been shown previously that not only may the Levermore-Pomraning (LP) model be derived from the master equation for a description of ensemble-averaged transport quantities, but also that equations describing higher-order statistical moments may be obtained. We examine in greater detail the equations governing the second moments of the distribution of the angular fluxes, from which variances may be computed. We introduce a simple closure for these equations, as well as several models for estimating the variances of derived transport quantities. We revisit previous benchmarks for transport in stochastic media in order to examine the error of these new variance models. We find, not surprisingly, that the errors in these variance estimates are at least as large as the corresponding estimates of the average, and sometimes much larger. We also identify patterns in these variance estimates that may help guide the construction of more accurate models. (authors)
Kinetic theory the Chapman-Enskog solution of the transport equation for moderately dense gases
Brush, S G
1972-01-01
Kinetic Theory, Volume 3: The Chapman-Enskog Solution of the Transport Equation for Moderately Dense Gases describes the Chapman-Enskog solution of the transport equation for moderately dense gases. Topics covered range from the propagation of sound in monatomic gases to the kinetic theory of simple and composite monatomic gases and generalizations of the theory to higher densities. The application of kinetic theory to the determination of intermolecular forces is also discussed. This volume is divided into two sections and begins with an introduction to the work of Hilbert, Chapman, and Ensko
S4 solution of the transport equation for eigenvalues using Legendre polynomials
Directory of Open Access Journals (Sweden)
Öztürk Hakan
2017-01-01
Full Text Available Numerical solution of the transport equation for monoenergetic neutrons scattered isotropically through the medium of a finite homogeneous slab is studied for the determination of the eigenvalues. After obtaining the discrete ordinates form of the transport equation, separated homogeneous and particular solutions are formed and then the eigenvalues are calculated using the Gauss-Legendre quadrature set. Then, the calculated eigenvalues for various values of the c0, the mean number of secondary neutrons per collision, are given in the tables.
The Transport Equation in Optically Thick Media: Discussion of IMC and its Diffusion Limit
Energy Technology Data Exchange (ETDEWEB)
Szoke, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Brooks, E. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2016-07-12
We discuss the limits of validity of the Implicit Monte Carlo (IMC) method for the transport of thermally emitted radiation. The weakened coupling between the radiation and material energy of the IMC method causes defects in handling problems with strong transients. We introduce an approach to asymptotic analysis for the transport equation that emphasizes the fact that the radiation and material temperatures are always different in time-dependent problems, and we use it to show that IMC does not produce the correct diffusion limit. As this is a defect of IMC in the continuous equations, no improvement to its discretization can remedy it.
The fundamental and universal nature of Boltzmann`s constant
Energy Technology Data Exchange (ETDEWEB)
Biedenharn, L.C. [Univ. of Texas, Austin, TX (United States); Solem, J.C. [Los Alamos National Lab., NM (United States). Theoretical Div.
1996-07-01
The nature of Boltzmann`s constant is very unclear in the physics literature. In the first part of this paper, on general considerations, the authors examine this situation in detail and demonstrate the conclusion that Boltzmann`s constant is indeed both fundamental and universal. As a consequence of their development they find there is an important implication of this work for the problem of the entropy of information. In the second part they discuss, Szilard`s famous construction showing in detail how his result is incompatible with the demonstrations in both parts 1 and 2.
Mathematical model of Boltzmann's sigmoidal equation applicable ...
Indian Academy of Sciences (India)
Ingeniería-Química, COARA—Universidad Autónoma de San Luis Potosí, Matehuala, San Luis Potosí, Mexico; Instituto Politécnico Nacional, CICATA Legaria, Calzada Legaria No. 694, Colonia Irrigación, 11500 Ciudad de México, Mexico; Departamento de Ingeniería Agrícola, DICIVA, Universidad de Guanajuato, Campus ...
Mathematical model of Boltzmann's sigmoidal equation applicable ...
Indian Academy of Sciences (India)
2017-08-18
Aug 18, 2017 ... 1Ingeniería-Química, COARA—Universidad Autónoma de San Luis Potosí, Matehuala, San Luis Potosí, Mexico. 2Instituto Politécnico Nacional, CICATA Legaria, Calzada Legaria No. 694, Colonia Irrigación, 11500 Ciudad de México,. Mexico. 3Departamento de Ingeniería Agrícola, DICIVA, Universidad de ...
Mathematical model of Boltzmann's sigmoidal equation applicable ...
Indian Academy of Sciences (India)
2017-08-18
Aug 18, 2017 ... deposits of BST on substrates of nichrome under the same experimental conditions, showing differences in the ratio Ba/Sr of the BST due to ... process conditions to be expected to control crosslinking so as to make the best ... value of the independent variable, the function is continuous; on the other hand, ...
Mathematical model of Boltzmann's sigmoidal equation applicable ...
Indian Academy of Sciences (India)
boms/040/05/1043- ... J RESÉNDIZ-MUÑOZ1 M A CORONA-RIVERA1 J L FERNÁNDEZ-MUÑOZ2 M ZAPATA-TORRES2 A MÁRQUEZ-HERRERA3 V M OVANDO-MEDINA1. Ingeniería-Química, COARA—Universidad Autónoma de San Luis ...
Simulation of neutron transport equation using parallel Monte Carlo for deep penetration problems
International Nuclear Information System (INIS)
Bekar, K. K.; Tombakoglu, M.; Soekmen, C. N.
2001-01-01
Neutron transport equation is simulated using parallel Monte Carlo method for deep penetration neutron transport problem. Monte Carlo simulation is parallelized by using three different techniques; direct parallelization, domain decomposition and domain decomposition with load balancing, which are used with PVM (Parallel Virtual Machine) software on LAN (Local Area Network). The results of parallel simulation are given for various model problems. The performances of the parallelization techniques are compared with each other. Moreover, the effects of variance reduction techniques on parallelization are discussed
Nonequilibrium phenomena in QCD and BEC. Boltzmann and beyond
Energy Technology Data Exchange (ETDEWEB)
Stockamp, T.
2006-12-22
In chapter 2 we chose the real time formalism to discuss some basic principles in quantum field theory at finite temperature. This enables us to derive the quantum Boltzmann equation from the Schwinger-Dyson series. We then shortly introduce the basic concepts of QCD which are needed to understand the physics of QGP formation. After a detailed account on the bottom-up scenario we show the consistency of this approach by a diagramatical analysis of the relevant Boltzmann collision integrals. Chapter 3 deals with BEC dynamics out of equilibrium. After an introduction to the fundamental theoretical tool - namely the Gross-Pitaevskii equation - we focus on a generalization to finite temperature developed by Zaremba, Nikuni and Griffin (ZNG). These authors use a Boltzmann equation to describe the interactions between condensed and excited atoms and manage in this way to describe condensate growth. We then turn to a discussion on the 2PI effective action and derive equations of motion for a relativistic scalar field theory. In the nonrelativistic limit these equations are shown to coincide with the ZNG theory when a quasiparticle approximation is applied. Finally, we perform a numerical analysis of the full 2PI equations. These remain valid even at strong coupling and far from equilibrium, and thus go far beyond Boltzmann's approach. For simplicity, we limit ourselves to a homogeneous system and present the first 3+1 dimensional study of condensate melting. (orig.)
A Derivation of the Nonlocal Volume-Averaged Equations for Two-Phase Flow Transport
Directory of Open Access Journals (Sweden)
Gilberto Espinosa-Paredes
2012-01-01
Full Text Available In this paper a detailed derivation of the general transport equations for two-phase systems using a method based on nonlocal volume averaging is presented. The local volume averaging equations are commonly applied in nuclear reactor system for optimal design and safe operation. Unfortunately, these equations are limited to length-scale restriction and according with the theory of the averaging volume method, these fail in transition of the flow patterns and boundaries between two-phase flow and solid, which produce rapid changes in the physical properties and void fraction. The non-local volume averaging equations derived in this work contain new terms related with non-local transport effects due to accumulation, convection diffusion and transport properties for two-phase flow; for instance, they can be applied in the boundary between a two-phase flow and a solid phase, or in the boundary of the transition region of two-phase flows where the local volume averaging equations fail.
Massively parallel simulations of multiphase flows using Lattice Boltzmann methods
Ahrenholz, Benjamin
2010-03-01
In the last two decades the lattice Boltzmann method (LBM) has matured as an alternative and efficient numerical scheme for the simulation of fluid flows and transport problems. Unlike conventional numerical schemes based on discretizations of macroscopic continuum equations, the LBM is based on microscopic models and mesoscopic kinetic equations. The fundamental idea of the LBM is to construct simplified kinetic models that incorporate the essential physics of microscopic or mesoscopic processes so that the macroscopic averaged properties obey the desired macroscopic equations. Especially applications involving interfacial dynamics, complex and/or changing boundaries and complicated constitutive relationships which can be derived from a microscopic picture are suitable for the LBM. In this talk a modified and optimized version of a Gunstensen color model is presented to describe the dynamics of the fluid/fluid interface where the flow field is based on a multi-relaxation-time model. Based on that modeling approach validation studies of contact line motion are shown. Due to the fact that the LB method generally needs only nearest neighbor information, the algorithm is an ideal candidate for parallelization. Hence, it is possible to perform efficient simulations in complex geometries at a large scale by massively parallel computations. Here, the results of drainage and imbibition (Degree of Freedom > 2E11) in natural porous media gained from microtomography methods are presented. Those fully resolved pore scale simulations are essential for a better understanding of the physical processes in porous media and therefore important for the determination of constitutive relationships.
Directory of Open Access Journals (Sweden)
T.V.Shymchuk
2007-01-01
Full Text Available The statistical model of the water solution of radioactive elements and the porous clayey matrix is proposed. The generalized transport equations for the description of diffusion, sorption,radiative processes and chemical reactions are obtained taking into account the electromagnetic processes.
FMCEIR: a Monte Carlo program for solving the stationary neutron and gamma transport equation
International Nuclear Information System (INIS)
Taormina, A.
1978-05-01
FMCEIR is a three-dimensional Monte Carlo program for solving the stationary neutron and gamma transport equation. It is used to study the problem of neutron and gamma streaming in the GCFR and HHT reactor channels. (G.T.H.)
Projector methods applied to numerical integration of the SN transport equation
International Nuclear Information System (INIS)
Hristea, V.; Covaci, St.
2003-01-01
We are developing two methods of integration for the S N transport equation in x - y geometry, methods based on projector technique. By cellularization of the phase space and by choosing a finite basis of orthogonal functions, which characterize the angular flux, the non-selfadjoint transport equation is reduced to a cellular automaton. This automaton is completely described by the transition Matrix T. Within this paper two distinct methods of projection are described. One of them uses the transversal integration technique. As an alternative to this we applied the method of the projectors for the integral S N transport equation. We show that the constant spatial approximation of the integral S N transport equation does not lead to negative fluxes. One of the problems with the projector method, namely the appearance of numerical instability for small intervals is solved by the Pade representation of the elements for Matrix T. Numerical tests here presented compare the numerical performances of the algorithms obtained by the two projection methods. The Pade representation was also taken into account for these two algorithm types. (authors)
Numerical solution of the neutron transport equation using cellular neural networks
International Nuclear Information System (INIS)
Boroushaki, Mehrdad
2009-01-01
Various methods have been used for solving the neutron transport equation in the past, and a number of computer codes have been developed based on these solution methods. This paper describes a novel method for the solution of the steady-state and time-dependent neutron transport equation using the duality between neutronic parameters in the method of characteristic (MOC) and the electrical parameters in the cellular neural networks (CNN). The relevant electrical circuit can be simulated by professional electrical circuit simulator software, HSPICE. This software is used for numerical solution of the transport equation only by preparation of appropriate inputs. This method does not need inner and outer iterations, which is a necessary step in the other deterministic methods. One of the main applications of the proposed method may be the development of a new hardware by VLSI technology for online spatio-temporal calculations of the transport equation for nuclear reactor core. The accuracy and capability of this method are examined in a 2D steady-state problem for a BWR fuel assembly, and a 2D time-dependent TWIGL seed/blanket problem
Steady-state transport equation resolution by particle methods, and numerical results
International Nuclear Information System (INIS)
Mercier, B.
1985-10-01
A method to solve steady-state transport equation has been given. Principles of the method are given. The method is studied in two different cases; estimations given by the theory are compared to numerical results. Results got in 1-D (spherical geometry) and in 2-D (axisymmetric geometry) are given [fr
Poisson-Boltzmann versus Size-Modified Poisson-Boltzmann Electrostatics Applied to Lipid Bilayers.
Wang, Nuo; Zhou, Shenggao; Kekenes-Huskey, Peter M; Li, Bo; McCammon, J Andrew
2014-12-26
Mean-field methods, such as the Poisson-Boltzmann equation (PBE), are often used to calculate the electrostatic properties of molecular systems. In the past two decades, an enhancement of the PBE, the size-modified Poisson-Boltzmann equation (SMPBE), has been reported. Here, the PBE and the SMPBE are reevaluated for realistic molecular systems, namely, lipid bilayers, under eight different sets of input parameters. The SMPBE appears to reproduce the molecular dynamics simulation results better than the PBE only under specific parameter sets, but in general, it performs no better than the Stern layer correction of the PBE. These results emphasize the need for careful discussions of the accuracy of mean-field calculations on realistic systems with respect to the choice of parameters and call for reconsideration of the cost-efficiency and the significance of the current SMPBE formulation.
Energy Technology Data Exchange (ETDEWEB)
Chepe P, M. [Universidad Autonoma Metropolitana, Unidad Iztapalapa, San Rafael Atlixco No. 186, Col. Vicentina, 09340 Ciudad de Mexico (Mexico); Xolocostli M, J. V.; Gomez T, A. M. [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico); Del Valle G, E., E-mail: liaison.web@gmail.com [IPN, Escuela Superior de Fisica y Matematicas, Av. IPN s/n, Col. San Pedro Zacatenco, 07730 Ciudad de Mexico (Mexico)
2016-09-15
Due to the current computing power, the deterministic codes for analyzing nuclear reactors that have been used for several years are becoming more relevant, since much more precise solution techniques can be used; the last century would have been very difficult, since memory and processor capacities were very limited or had high prices on the components. In this work we analyze the effect of the anisotropic dispersion of the effective dispersion section, compared to the isotropic dispersion. The anisotropy implementation was carried out in the AZTRAN transport code, which is part of the AZTLAN platform for nuclear reactors analysis (in development). The AZTRAN code solves the Boltzmann transport equation in one, two and three dimensions at steady state, using the multi-group technique for energy discretization, the RTN-0 nodal method in spatial discretization and for angular discretization the discrete ordinates without considering anisotropy originally. The effect of the anisotropy dispersion on the effective multiplication factor and the axial and radial power on a fuel assembly BWR type are analyzed. (Author)
Radiative transport equation for the Mittag-Leffler path length distribution
Liemert, André; Kienle, Alwin
2017-05-01
In this paper, we consider the radiative transport equation for infinitely extended scattering media that are characterized by the Mittag-Leffler path length distribution p (ℓ ) =-∂ℓEα(-σtℓα ) , which is a generalization of the usually assumed Lambert-Beer law p (ℓ ) =σtexp(-σtℓ ) . In this context, we derive the infinite-space Green's function of the underlying fractional transport equation for the spherically symmetric medium as well as for the one-dimensional string. Moreover, simple analytical solutions are presented for the prediction of the radiation field in the single-scattering approximation. The resulting equations are compared with Monte Carlo simulations in the steady-state and time domain showing, within the stochastic nature of the simulations, an excellent agreement.
International Nuclear Information System (INIS)
Vallepin, C.; Kowalewsky, H.
1989-01-01
Packages designed for the transport of radioactive materials are required by International and National regulations to restrict the possible loss of radioactive contents to very low levels under both Normal and Accident Conditions of Transport. The applicability of the equations used in the calculation of leak geometry and flow rates is assessed. Molecular, Laminar, Turbulent, and Choked flow may occur depending upon the leak geometry and pressure conditions. We present data from experimental work which used the flow models and equations to predict leakage rates through capillaries and gaps. National technical guides and computer codes for leak testing have been produced which give practical assistance in carrying out leak testing. The relationship between leak geometry and gas leakage rates can be described most appropriately and conservatively by the Knudsen flow equation for capillaries and in a slightly modified form for gaps
Application of the finite element method to the neutron transport equation
International Nuclear Information System (INIS)
Martin, W.R.
1976-01-01
This paper examines the theoretical and practical application of the finite element method to the neutron transport equation. It is shown that in principle the system of equations obtained by application of the finite element method can be solved with certain physical restrictions concerning the criticality of the medium. The convergence of this approximate solution to the exact solution with mesh refinement is examined, and a non-optical estimate of the convergence rate is obtained analytically. It is noted that the numerical results indicate a faster convergence rate and several approaches to obtain this result analytically are outlined. The practical application of the finite element method involved the development of a computer code capable of solving the neutron transport equation in 1-D plane geometry. Vacuum, reflecting, or specified incoming boundary conditions may be analyzed, and all are treated as natural boundary conditions. The time-dependent transport equation is also examined and it is shown that the application of the finite element method in conjunction with the Crank-Nicholson time discretization method results in a system of algebraic equations which is readily solved. Numerical results are given for several critical slab eigenvalue problems, including anisotropic scattering, and the results compare extremely well with benchmark results. It is seen that the finite element code is more efficient than a standard discrete ordinates code for certain problems. A problem with severe heterogeneities is considered and it is shown that the use of discontinuous spatial and angular elements results in a marked improvement in the results. Finally, time-dependent problems are examined and it is seen that the phenomenon of angular mode separation makes the numerical treatment of the transport equation in slab geometry a considerable challenge, with the result that the angular mesh has a dominant effect on obtaining acceptable solutions
Self-adjoint angular flux equation for coupled electron-photon transport
International Nuclear Information System (INIS)
Liscum-Powell, J.L.; Prinja, A.K.; Morel, J.E.; Lorence, L.J. Jr.
1999-01-01
Recently, Morel and McGhee described an alternate second-order form of the transport equation called the self-adjoint angular flux (SAAF) equation that has the angular flux as its unknown. The SAAF formulation has all the advantages of the traditional even- and odd-parity self-adjoint equations, with the added advantages that it yields the full angular flux when it is numerically solved, it is significantly easier to implement reflective and reflective-like boundary conditions, and in the appropriate form it can be solved in void regions. The SAAF equation has the disadvantage that the angular domain is the full unit sphere, and, like the even- and odd-parity form, S n source iteration cannot be implemented using the standard sweeping algorithm. Also, problems arise in pure scattering media. Morel and McGhee demonstrated the efficacy of the SAAF formulation for neutral particle transport. Here, the authors apply the SAAF formulation to coupled electron-photon transport problems using multigroup cross sections from the CEPXS code and S n discretization
Self-Adjoint Angular Flux Equation for Coupled Electron-Photon Transport
International Nuclear Information System (INIS)
Liscum-Powell, J.L.; Lorence, L.J. Jr.; Morel, J.E.; Prinja, A.K.
1999-01-01
Recently, Morel and McGhee described an alternate second-order form of the transport equation called the self adjoint angular flux (SAAF) equation that has the angular flux as its unknown. The SAAF formulation has all the advantages of the traditional even- and odd-parity self-adjoint equations, with the added advantages that it yields the full angular flux when it is numerically solved, it is significantly easier to implement reflective and reflective-like boundary conditions, and in the appropriate form it can be solved in void regions. The SAAF equation has the disadvantage that the angular domain is the full unit sphere and, like the even- and odd- parity form, S n source iteration cannot be implemented using the standard sweeping algorithm. Also, problems arise in pure scattering media. Morel and McGhee demonstrated the efficacy of the SAAF formulation for neutral particle transport. Here we apply the SAAF formulation to coupled electron-photon transport problems using multigroup cross-sections from the CEPXS code and S n discretization
Schunert, Sebastian; Wang, Yaqi; Gleicher, Frederick; Ortensi, Javier; Baker, Benjamin; Laboure, Vincent; Wang, Congjian; DeHart, Mark; Martineau, Richard
2017-06-01
This work presents a flexible nonlinear diffusion acceleration (NDA) method that discretizes both the SN transport equation and the diffusion equation using the discontinuous finite element method (DFEM). The method is flexible in that the diffusion equation can be discretized on a coarser mesh with the only restriction that it is nested within the transport mesh and the FEM shape function orders of the two equations can be different. The consistency of the transport and diffusion solutions at convergence is defined by using a projection operator mapping the transport into the diffusion FEM space. The diffusion weak form is based on the modified incomplete interior penalty (MIP) diffusion DFEM discretization that is extended by volumetric drift, interior face, and boundary closure terms. In contrast to commonly used coarse mesh finite difference (CMFD) methods, the presented NDA method uses a full FEM discretized diffusion equation for acceleration. Suitable projection and prolongation operators arise naturally from the FEM framework. Via Fourier analysis and numerical experiments for a one-group, fixed source problem the following properties of the NDA method are established for structured quadrilateral meshes: (1) the presented method is unconditionally stable and effective in the presence of mild material heterogeneities if the same mesh and identical shape functions either of the bilinear or biquadratic type are used, (2) the NDA method remains unconditionally stable in the presence of strong heterogeneities, (3) the NDA method with bilinear elements extends the range of effectiveness and stability by a factor of two when compared to CMFD if a coarser diffusion mesh is selected. In addition, the method is tested for solving the C5G7 multigroup, eigenvalue problem using coarse and fine mesh acceleration. While NDA does not offer an advantage over CMFD for fine mesh acceleration, it reduces the iteration count required for convergence by almost a factor of two in
ARTEMIS: a 3D transport code for shielding calculations
Energy Technology Data Exchange (ETDEWEB)
Varin, E.; Samba, G. [Commissariat a l' Energie Atomique, Bruyeres-Le-Chatels (France); Roy, R. [Ecole Polytechnique de Montreal, Montreal, Quebec (Canada)
2002-07-01
In radiation transport problems, as shielding applications, the solution of the Boltzmann transport equation is usually obtained by the discrete ordinates deterministic method. An alternative methodology has been developed in three dimensions into the code ARTEMIS. A Spherical Harmonics expansion of the angular flux has been chosen to guaranty solutions free of ray-effects. A least squares approach is applied over the linear transport equation; this approach leads to well-defined symmetric positive definite systems which allows the use of finite element spatial discretization. This paper presents the basic derivation of the discrete equations and provides examples on the use of this technique to solve different transport problems. (author)
Analysis of an upstream weighted collocation approximation to the transport equation
International Nuclear Information System (INIS)
Shapiro, A.; Pinder, G.F.
1981-01-01
The numerical behavior of a modified orthogonal collocation method, as applied to the transport equations, can be examined through the use of a Fourier series analysis. The necessity of such a study becomes apparent in the analysis of several techniques which emulate classical upstream weighting schemes. These techniques are employed in orthogonal collocation and other numerical methods as a means of handling parabolic partial differential equations with significant first-order terms. Divergent behavior can be shown to exist in one upstream weighting method applied to orthogonal collocation
Note on the Solution of Transport Equation by Tau Method and Walsh Functions
Directory of Open Access Journals (Sweden)
Abdelouahab Kadem
2010-01-01
Full Text Available We consider the combined Walsh function for the three-dimensional case. A method for the solution of the neutron transport equation in three-dimensional case by using the Walsh function, Chebyshev polynomials, and the Legendre polynomials are considered. We also present Tau method, and it was proved that it is a good approximate to exact solutions. This method is based on expansion of the angular flux in a truncated series of Walsh function in the angular variable. The main characteristic of this technique is that it reduces the problems to those of solving a system of algebraic equations; thus, it is greatly simplifying the problem.
Essentially Entropic Lattice Boltzmann Model
Atif, Mohammad; Kolluru, Praveen Kumar; Thantanapally, Chakradhar; Ansumali, Santosh
2017-12-01
The entropic lattice Boltzmann model (ELBM), a discrete space-time kinetic theory for hydrodynamics, ensures nonlinear stability via the discrete time version of the second law of thermodynamics (the H theorem). Compliance with the H theorem is numerically enforced in this methodology and involves a search for the maximal discrete path length corresponding to the zero dissipation state by iteratively solving a nonlinear equation. We demonstrate that an exact solution for the path length can be obtained by assuming a natural criterion of negative entropy change, thereby reducing the problem to solving an inequality. This inequality is solved by creating a new framework for construction of Padé approximants via quadrature on appropriate convex function. This exact solution also resolves the issue of indeterminacy in case of nonexistence of the entropic involution step. Since our formulation is devoid of complex mathematical library functions, the computational cost is drastically reduced. To illustrate this, we have simulated a model setup of flow over the NACA-0012 airfoil at a Reynolds number of 2.88 ×106.
Electron and ion transport equations in computational weakly-ionized plasmadynamics
International Nuclear Information System (INIS)
Parent, Bernard; Macheret, Sergey O.; Shneider, Mikhail N.
2014-01-01
A new set of ion and electron transport equations is proposed to simulate steady or unsteady quasi-neutral or non-neutral multicomponent weakly-ionized plasmas through the drift–diffusion approximation. The proposed set of equations is advantaged over the conventional one by being considerably less stiff in quasi-neutral regions because it can be integrated in conjunction with a potential equation based on Ohm's law rather than Gauss's law. The present approach is advantaged over previous attempts at recasting the system by being applicable to plasmas with several types of positive ions and negative ions and by not requiring changes to the boundary conditions. Several test cases of plasmas enclosed by dielectrics and of glow discharges between electrodes show that the proposed equations yield the same solution as the standard equations but require 10 to 100 times fewer iterations to reach convergence whenever a quasi-neutral region forms. Further, several grid convergence studies indicate that the present approach exhibits a higher resolution (and hence requires fewer nodes to reach a given level of accuracy) when ambipolar diffusion is present. Because the proposed equations are not intrinsically linked to specific discretization or integration schemes and exhibit substantial advantages with no apparent disadvantage, they are generally recommended as a substitute to the fluid models in which the electric field is obtained from Gauss's law as long as the plasma remains weakly-ionized and unmagnetized
Energy Technology Data Exchange (ETDEWEB)
Fevotte, F. [CEA Saclay, Dept. Modelisation de Systemes et Structures (DEN/DANS/DM2S/SERMA), 91 - Gif sur Yvette (France)
2008-07-01
At the various stages of a nuclear reactor's life, numerous studies are needed to guaranty the safety and efficiency of the design, analyse the fuel cycle, prepare the dismantlement, and so on. Due to the extreme difficulty to take extensive and accurate measurements in the reactor core, most of these studies are numerical simulations. The complete numerical simulation of a nuclear reactor involves many types of physics: neutronics, thermal hydraulics, materials, control engineering, Among these, the neutron transport simulation is one of the fundamental steps, since it allows computation - among other things - of various fundamental values such as the power density (used in thermal hydraulics computations) or fuel burn-up. The neutron transport simulation is based on the Boltzmann equation, which models the neutron population inside the reactor core. Among the various methods allowing its numerical solution, much interest has been devoted in the past few years to the Method of Characteristics in unstructured meshes (MOC), since it offers a good accuracy and operates in complicated geometries. The aim of this work is to propose improvements of the calculation scheme bound on the two dimensions MOC, in order to decrease the needed resources number. (A.L.B.)
Lattice Boltzmann simulation of antiplane shear loading of a stationary crack
Schlüter, Alexander; Kuhn, Charlotte; Müller, Ralf
2018-01-01
In this work, the lattice Boltzmann method is applied to study the dynamic behaviour of linear elastic solids under antiplane shear deformation. In this case, the governing set of partial differential equations reduces to a scalar wave equation for the out of plane displacement in a two dimensional domain. The lattice Boltzmann approach developed by Guangwu (J Comput Phys 161(1):61-69, 2000) in 2006 is used to solve the problem numerically. Some aspects of the scheme are highlighted, including the treatment of the boundary conditions. Subsequently, the performance of the lattice Boltzmann scheme is tested for a stationary crack problem for which an analytic solution exists. The treatment of cracks is new compared to the examples that are discussed in Guangwu's work. Furthermore, the lattice Boltzmann simulations are compared to finite element computations. Finally, the influence of the lattice Boltzmann relaxation parameter on the stability of the scheme is illustrated.
Lattice Boltzmann model for numerical relativity.
Ilseven, E; Mendoza, M
2016-02-01
In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems.
Quantum Simulator for Transport Phenomena in Fluid Flows
Mezzacapo, A.; Sanz, M.; Lamata, L.; Egusquiza, I. L.; Succi, S.; Solano, E.
2015-08-01
Transport phenomena still stand as one of the most challenging problems in computational physics. By exploiting the analogies between Dirac and lattice Boltzmann equations, we develop a quantum simulator based on pseudospin-boson quantum systems, which is suitable for encoding fluid dynamics transport phenomena within a lattice kinetic formalism. It is shown that both the streaming and collision processes of lattice Boltzmann dynamics can be implemented with controlled quantum operations, using a heralded quantum protocol to encode non-unitary scattering processes. The proposed simulator is amenable to realization in controlled quantum platforms, such as ion-trap quantum computers or circuit quantum electrodynamics processors.
Oleschko, K.; Khrennikov, A.
2017-10-01
This paper is about a novel mathematical framework to model transport (of, e.g., fluid or gas) through networks of capillaries. This framework takes into account the tree structure of the networks of capillaries. (Roughly speaking, we use the tree-like system of coordinates.) As is well known, tree-geometry can be topologically described as the geometry of an ultrametric space, i.e., a metric space in which the metric satisfies the strong triangle inequality: in each triangle, the third side is less than or equal to the maximum of two other sides. Thus transport (e.g., of oil or emulsion of oil and water in porous media, or blood and air in biological organisms) through networks of capillaries can be mathematically modelled as ultrametric diffusion. Such modelling was performed in a series of recently published papers of the authors. However, the process of transport through capillaries can be only approximately described by the linear diffusion, because the concentration of, e.g., oil droplets, in a capillary can essentially modify the dynamics. Therefore nonlinear dynamical equations provide a more adequate model of transport in a network of capillaries. We consider a nonlinear ultrametric diffusion equation with quadratic nonlinearity - to model transport in such a network. Here, as in the linear case, we apply the theory of ultrametric wavelets. The paper also contains a simple introduction to theory of ultrametric spaces and analysis on them.
The use of non-dimensional representation of the solute transport equations
International Nuclear Information System (INIS)
Laurens, J.-M.
1988-07-01
This report presents the results obtained in a pilot investigation into the use of non-dimensional representations of the solute transport equations, so as to improve the efficiency of the PRA codes used by the DoE and its contractors. A reduced set of parameters was obtained for a single layer transport model. As expected, the response was shown to be highly sensitive on the new parameters. A faster convergence of the system was observed when the sampling technique used was changed to take into account the properties of the new parameters, such that uniform coverage of the reduced parameter hyperspace was achieved. (author)
On equiconvergence of ultraspherical polynomials solution of one-speed neutron transport equation
International Nuclear Information System (INIS)
Yilmazer, Ayhan; Tombakoglu, Mehmet
2006-01-01
Ultraspherical polynomial approximation is used in slab criticality calculations for strongly anisotropic scattering. A unique and general formulation is developed for slab criticality condition whose sub-cases are spherical harmonics approximation, Chebyshev polynomial approximation of first and second kind. Since Legendre polynomials, Chebyshev Polynomials of first and second kinds are special cases of ultraspherical polynomials; our formulation inherently covers all these approximations and lets one to employ any other ultraspherical polynomial approximation in the solution of one-speed neutron transport equation. Our calculations showed that solution of one-speed neutron transport equation for various degrees of anisotropy and cross-section parameters is almost insensitive to the choice of ultraspherical polynomial with the present days' computing capabilities. In other words, as much as high order ultraspherical polynomial approximation is used the solution converges to the same value for a specified problem regardless the type of the ultraspherical polynomial assigned in the solution as equiconvergence theorem of Jacobi polynomials states
National Research Council Canada - National Science Library
Patera, Anthony T
2007-01-01
.... Typical equations and applications of interest include Density Functional Theory for solid state property calculations, the Boltzmann equation for microscale gas flows, the Navier-Stokes equations...
A parallel version of a multigrid algorithm for isotropic transport equations
International Nuclear Information System (INIS)
Manteuffel, T.; McCormick, S.; Yang, G.; Morel, J.; Oliveira, S.
1994-01-01
The focus of this paper is on a parallel algorithm for solving the transport equations in a slab geometry using multigrid. The spatial discretization scheme used is a finite element method called the modified linear discontinuous (MLD) scheme. The MLD scheme represents a lumped version of the standard linear discontinuous (LD) scheme. The parallel algorithm was implemented on the Connection Machine 2 (CM2). Convergence rates and timings for this algorithm on the CM2 and Cray-YMP are shown
New version of the RADUGA system for solving transport equations in the R-Z geometry
International Nuclear Information System (INIS)
Bass, L.P.; Germogenova, T.A.; Goncharov, A.N.; Petrulevich, A.A.; Khmylev, A.N.
1987-01-01
The RADUGA-3 version of the RADUGA modular program used to solve the multigroup system of equations of radiation transport with anisotropic scattering by the discrete ordinate method in two-dimensional R-Z-geometry, is described. Modules, introduced into the new version, broaden the program possibilities and allow to improve calculational accuracy and to reduce essentially (by 2-5 times) calculation time
Numerical solution of neutron transport equations in discrete ordinates and slab geometry
International Nuclear Information System (INIS)
Serrano Pedraza, F.
1985-01-01
An unified formalism to solve numerically, between other equation, the neutron transport in discrete ordinates, slab geometry, several energy groups and independents of time, has been developed recently. Such a formalism cover some of the conventional schemes as diamond difference, (WDD) characteristic step (SC) lineal characteristic (LC), quadratic characteristic (QC) and lineal discontinuous. Unified formation gives before hand the convergence order of the previously selected scheme. In fact it allows besides to generate a big amount of numerical schemes, with which is also possible to solve numerical equations as soon as neutron transport. The essential purpose of this work was to solve the neutron transport equations in slab geometry and discrete ordinates considering several energy groups without to take under advisement time dependence based in the above mentioned unified formalism. To reach this purpose it was necesary to design a computer code with the name TNOD1 (Neutron transport in discrete ordinates and 1 dimension) which includes each one of the schemes already pointed out. there exist two numerical schemes, also recently developed, quadratic continuous (QC) and cubic continuous (CN), although covered by unified formalism, it has been possible to include them inside this computer code without make substantial changes in its structure. In chapter I, derivative of neutron transport equation independent of time is taken, for angular flux, including boundary conditions and discontinuity. In chapter II the neutron transport equations are obtained in multigroups, independents of time, for approximation of discrete ordinates. Description of theory related with unified formalism and its relationship with mentioned discretization schemes is presented in chapter III. Chapter IV describes the computer code developed and finally, in chapter V different numerical results obtained with TNOD1 program are shown. In Appendix A theorems and mathematical arguments used
Approximate method for solving the velocity dependent transport equation in a slab lattice
International Nuclear Information System (INIS)
Ferrari, A.
1966-01-01
A method is described that is intended to provide an approximate solution of the transport equation in a medium simulating a water-moderated plate filled reactor core. This medium is constituted by a periodic array of water channels and absorbing plates. The velocity dependent transport equation in slab geometry is included. The computation is performed in a water channel: the absorbing plates are accounted for by the boundary conditions. The scattering of neutrons in water is assumed isotropic, which allows the use of a double Pn approximation to deal with the angular dependence. This method is able to represent the discontinuity of the angular distribution at the channel boundary. The set of equations thus obtained is dependent only on x and v and the coefficients are independent on x. This solution suggests to try solutions involving Legendre polynomials. This scheme leads to a set of equations v dependent only. To obtain an explicit solution, a thermalization model must now be chosen. Using the secondary model of Cadilhac a solution of this set is easy to get. The numerical computations were performed with a particular secondary model, the well-known model of Wigner and Wilkins. (author) [fr
Speedup of Particle Transport Problems with a Beowulf Cluster
Zhongxiang Zhao; G. I. Maldonado
2006-01-01
The MCNP code is a general Monte Carlo N-Particle Transport program that is widely used in health physics, medical physics and nuclear engineering for problems involving neutron, photon and electron transport[1]. However, due to the stochastic nature of the algorithms employed to solve the Boltzmann transport equation, MCNP generally exhibits a slow rate of convergence. In fact, engineers and scientists can quickly identify intractable versions of their most challenging and CPU-intensive prob...
Large Time Behavior of the Vlasov-Poisson-Boltzmann System
Directory of Open Access Journals (Sweden)
Li Li
2013-01-01
Full Text Available The motion of dilute charged particles can be modeled by Vlasov-Poisson-Boltzmann system. We study the large time stability of the VPB system. To be precise, we prove that when time goes to infinity, the solution of VPB system tends to global Maxwellian state in a rate Ot−∞, by using a method developed for Boltzmann equation without force in the work of Desvillettes and Villani (2005. The improvement of the present paper is the removal of condition on parameter λ as in the work of Li (2008.
Chakraverty, S; Sahoo, B K; Rao, T D; Karunakar, P; Sapra, B K
2018-02-01
Modelling radon transport in the earth crust is a useful tool to investigate the changes in the geo-physical processes prior to earthquake event. Radon transport is modeled generally through the deterministic advection-diffusion equation. However, in order to determine the magnitudes of parameters governing these processes from experimental measurements, it is necessary to investigate the role of uncertainties in these parameters. Present paper investigates this aspect by combining the concept of interval uncertainties in transport parameters such as soil diffusivity, advection velocity etc, occurring in the radon transport equation as applied to soil matrix. The predictions made with interval arithmetic have been compared and discussed with the results of classical deterministic model. The practical applicability of the model is demonstrated through a case study involving radon flux measurements at the soil surface with an accumulator deployed in steady-state mode. It is possible to detect the presence of very low levels of advection processes by applying uncertainty bounds on the variations in the observed concentration data in the accumulator. The results are further discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.
Directory of Open Access Journals (Sweden)
Thereza A. Soares
2004-08-01
Full Text Available The ability of biomolecules to catalyze chemical reactions is due chiefly to their sensitivity to variations of the pH in the surrounding environment. The reason for this is that they are made up of chemical groups whose ionization states are modulated by pH changes that are of the order of 0.4 units. The determination of the protonation states of such chemical groups as a function of conformation of the biomolecule and the pH of the environment can be useful in the elucidation of important biological processes from enzymatic catalysis to protein folding and molecular recognition. In the past 15 years, the theory of Poisson-Boltzmann has been successfully used to estimate the pKa of ionizable sites in proteins yielding results, which may differ by 0.1 unit from the experimental values. In this study, we review the theory of Poisson-Boltzmann under the perspective of its application to the calculation of pKa in proteins.
Ludwig Boltzmann, mechanics and vitalism
International Nuclear Information System (INIS)
Broda, E.
1990-01-01
During most of his life Boltzmann considered classical mechanics, based on the ideas of material points and central forces, as the fundament of physics. On this basis he became one of the founders of Statistical Mechanics, through which thermodynamics was interpreted on an atomistic basis. In this work, Boltzmann was opposed by his colleague, Ernst Mach. Boltzmann also devoted much work to attempts to interpret Maxwell's theory of the electromagnetic field, of which he was a main protagonist in Central Europe, through mechanics. However, as a supporter of mechanics Boltzmann was by no means dogmatic. While he was adamant in his rejection of Wilhelm Ostwald's energism, he was openminded in respect to the relationship of mechanics, electromagnetism and atomistics. Personally, Boltzmann wanted to conserve and transmit the enormous achievements of mechanics, especially in connection with the mechanical theory of heat, so that these results should not be lost to future generations, but he encouraged attempts to proceed in new directions. While within the framework of statistical mechanics the atoms were treated like the material points of classical mechanics, Boltzmann resisted the initial, unwarranted, ideas about the structure and the properties of the atoms. When later valid ideas were evolved, Boltzmann warmly welcomed this progress, without however personally taking part in the new developments. In his later years, Boltzmann took an intense interest in biology. He supported Darwin's theories, and he contributed to them. He may be called an 'absolute Darwinist'. In his search for a natural explanation of the phenomena of life, he used the term 'mechanical', without meaning to limit them to the realm of classical mechanics. This terminological laxity is considered as unfortunate. Extending his application of Darwinian principles to advanced species, including man, Boltzmann put forward 'mechanical' explanations of thought
Interpolation method for the transport theory and its application in fusion-neutronics analysis
International Nuclear Information System (INIS)
Jung, J.
1981-09-01
This report presents an interpolation method for the solution of the Boltzmann transport equation. The method is based on a flux synthesis technique using two reference-point solutions. The equation for the interpolated solution results in a Volterra integral equation which is proved to have a unique solution. As an application of the present method, tritium breeding ratio is calculated for a typical D-T fusion reactor system. The result is compared to that of a variational technique
Development of two-group interfacial area transport equation for confined flow-2. Model evaluation
International Nuclear Information System (INIS)
Sun, Xiaodong; Kim, Seungjin; Ishii, Mamoru; Beus, Stephen G.
2003-01-01
The bubble interaction mechanisms have been analytically modeled in the first paper of this series to provide mechanistic constitutive relations for the two-group interfacial area transport equation (IATE), which was proposed to dynamically solve the interfacial area concentration in the two-fluid model. This paper presents the evaluation approach and results of the two-group IATE based on available experimental data obtained in confined flow, namely, 11 data sets in or near bubbly flow and 13 sets in cap-turbulent and churn-turbulent flow. The two-group IATE is evaluated in steady state, one-dimensional form. Also, since the experiments were performed under adiabatic, air-water two-phase flow conditions, the phase change effect is omitted in the evaluation. To account for the inter-group bubble transport, the void fraction transport equation for Group-2 bubbles is also used to predict the void fraction for Group-2 bubbles. Agreement between the data and the model predictions is reasonably good and the average relative difference for the total interfacial area concentration between the 24 data sets and predictions is within 7%. The model evaluation demonstrates the capability of the two-group IATE focused on the current confined flow to predict the interfacial area concentration over a wide range of flow regimes. (author)
The use of Galerkin finite-element methods to solve mass-transport equations
Grove, David B.
1977-01-01
The partial differential equation that describes the transport and reaction of chemical solutes in porous media was solved using the Galerkin finite-element technique. These finite elements were superimposed over finite-difference cells used to solve the flow equation. Both convection and flow due to hydraulic dispersion were considered. Linear and Hermite cubic approximations (basis functions) provided satisfactory results: however, the linear functions were computationally more efficient for two-dimensional problems. Successive over relaxation (SOR) and iteration techniques using Tchebyschef polynomials were used to solve the sparce matrices generated using the linear and Hermite cubic functions, respectively. Comparisons of the finite-element methods to the finite-difference methods, and to analytical results, indicated that a high degree of accuracy may be obtained using the method outlined. The technique was applied to a field problem involving an aquifer contaminated with chloride, tritium, and strontium-90. (Woodard-USGS)
Finite element analysis of the neutron transport equation in spherical geometry
International Nuclear Information System (INIS)
Kim, Yong Ill; Kim, Jong Kyung; Suk, Soo Dong
1992-01-01
The Galerkin formulation of the finite element method is applied to the integral law of the first-order form of the one-group neutron transport equation in one-dimensional spherical geometry. Piecewise linear or quadratic Lagrange polynomials are utilized in the integral law for the angular flux to establish a set of linear algebraic equations. Numerical analyses are performed for the scalar flux distribution in a heterogeneous sphere as well as for the criticality problem in a uniform sphere. For the criticality problems in the uniform sphere, the results of the finite element method, with the use of continuous finite elements in space and angle, are compared with the exact solutions. In the heterogeneous problem, the scalar flux distribution obtained by using discontinuous angular and spatical finite elements is in good agreement with that from the ANISN code calculation. (Author)
International Nuclear Information System (INIS)
Sanchez G, J.
2007-01-01
A standard procedure for the solution of singular integral equations is applied to the one-dimensional transport equation for monoenergetic neutrons. The results obtained with two versions of the procedure, differing only in the extent of the basic region to which they are applied, are compared with analytically derived results available for benchmarking. The procedures considered yield consistent results for the calculated neutron densities and eigenvalues. Several approximate expressions of the neutron density are used to render closed-form formulas for the densities which can then be analytically operated on to obtain expressions for extrapolation distances or angular densities or serve other purposes that require an analytical expression of the neutron density. (Author)
The solution of the multigroup neutron transport equation using spherical harmonics
International Nuclear Information System (INIS)
Fletcher, K.
1981-01-01
A solution of the multi-group neutron transport equation in up to three space dimensions is presented. The flux is expanded in a series of unnormalised spherical harmonics. Using the various recurrence formulae a linked set of first order differential equations is obtained for the moments psisup(g)sub(lm)(r), γsup(g)sub(lm)(r). Terms with odd l are eliminated resulting in a second order system which is solved by two methods. The first is a finite difference formulation using an iterative procedure, secondly, in XYZ and XY geometry a finite element solution is given. Results for a test problem using both methods are exhibited and compared. (orig./RW) [de
Finite-element discretization of 3D energy-transport equations for semiconductors
Energy Technology Data Exchange (ETDEWEB)
Gadau, Stephan
2007-07-01
In this thesis a mathematical model was derived that describes the charge and energy transport in semiconductor devices like transistors. Moreover, numerical simulations of these physical processes are performed. In order to accomplish this, methods of theoretical physics, functional analysis, numerical mathematics and computer programming are applied. After an introduction to the status quo of semiconductor device simulation methods and a brief review of historical facts up to now, the attention is shifted to the construction of a model, which serves as the basis of the subsequent derivations in the thesis. Thereby the starting point is an important equation of the theory of dilute gases. From this equation the model equations are derived and specified by means of a series expansion method. This is done in a multi-stage derivation process, which is mainly taken from a scientific paper and which does not constitute the focus of this thesis. In the following phase we specify the mathematical setting and make precise the model assumptions. Thereby we make use of methods of functional analysis. Since the equations we deal with are coupled, we are concerned with a nonstandard problem. In contrary, the theory of scalar elliptic equations is established meanwhile. Subsequently, we are preoccupied with the numerical discretization of the equations. A special finite-element method is used for the discretization. This special approach has to be done in order to make the numerical results appropriate for practical application. By a series of transformations from the discrete model we derive a system of algebraic equations that are eligible for numerical evaluation. Using self-made computer programs we solve the equations to get approximate solutions. These programs are based on new and specialized iteration procedures that are developed and thoroughly tested within the frame of this research work. Due to their importance and their novel status, they are explained and
Entropic lattice Boltzmann representations required to recover Navier-Stokes flows.
Keating, Brian; Vahala, George; Yepez, Jeffrey; Soe, Min; Vahala, Linda
2007-03-01
There are two disparate formulations of the entropic lattice Boltzmann scheme: one of these theories revolves around the analog of the discrete Boltzmann H function of standard extensive statistical mechanics, while the other revolves around the nonextensive Tsallis entropy. It is shown here that it is the nonenforcement of the pressure tensor moment constraints that lead to extremizations of entropy resulting in Tsallis-like forms. However, with the imposition of the pressure tensor moment constraint, as is fundamentally necessary for the recovery of the Navier-Stokes equations, it is proved that the entropy function must be of the discrete Boltzmann form. Three-dimensional simulations are performed which illustrate some of the differences between standard lattice Boltzmann and entropic lattice Boltzmann schemes, as well as the role played by the number of phase-space velocities used in the discretization.
International Nuclear Information System (INIS)
Samba, G.
1985-04-01
It is often desirable to solve the two dimensional multigroup transport equation for (r-z) geometries directly given by hydrodynamic calculations. Usually, only Monte-Carlo codes are able to compute α or k eigenvalues on such geometries. Most deterministic codes use an orthogonal mesh or restrict the mesh to a regular triangular grid. Other methods were developed in C.E.A. and Los Alamos but do not solve the problem of sliding between two Lagrangian blocks. Thus, we have developed a production code which solves these problems and is able to get α or k eigenvalues with a good accuracy for such geometries
Gluon transport equation with effective mass and dynamical onset of Bose–Einstein condensation
International Nuclear Information System (INIS)
Blaizot, Jean-Paul; Jiang, Yin; Liao, Jinfeng
2016-01-01
We study the transport equation describing a dense system of gluons, in the small scattering angle approximation, taking into account medium-generated effective masses of the gluons. We focus on the case of overpopulated systems that are driven to Bose–Einstein condensation on their way to thermalization. The presence of a mass modifies the dispersion relation of the gluon, as compared to the massless case, but it is shown that this does not change qualitatively the scaling behavior in the vicinity of the onset.
Global existence of weak solutions to dissipative transport equations with nonlocal velocity
Bae, Hantaek; Granero-Belinchón, Rafael; Lazar, Omar
2018-04-01
We consider 1D dissipative transport equations with nonlocal velocity field: where is a nonlocal operator given by a Fourier multiplier. We especially consider two types of nonlocal operators: (1) , the Hilbert transform, (2) . In this paper, we show several global existence of weak solutions depending on the range of γ, δ and α. When , we take initial data having finite energy, while we take initial data in weighted function spaces (in the real variables or in the Fourier variables), which have infinite energy, when .
Numerical Solution of the Electron Transport Equation in the Upper Atmosphere
Energy Technology Data Exchange (ETDEWEB)
Woods, Mark Christopher [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Holmes, Mark [Rensselaer Polytechnic Inst., Troy, NY (United States); Sailor, William C [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2017-07-01
A new approach for solving the electron transport equation in the upper atmosphere is derived. The problem is a very stiff boundary value problem, and to obtain an accurate numerical solution, matrix factorizations are used to decouple the fast and slow modes. A stable finite difference method is applied to each mode. This solver is applied to a simplifieed problem for which an exact solution exists using various versions of the boundary conditions that might arise in a natural auroral display. The numerical and exact solutions are found to agree with each other to at least two significant digits.
Presentation of some methods for the solution of the monoenergetic neutrons transport equation
International Nuclear Information System (INIS)
Valle G, E. del.
1978-01-01
The neutrons transport theory problems whose solution has been reached were collected in order to show that the transport equation is so complicated that different techniques were developed so as to give approximative numerical solutions to problems concerning the practical application. Such a technique, which had not been investigated in the literature dealing with these problems, is described here. The results which were obtained through this technique in undimensional problems of criticity are satisfactory and speaking in a conceptual way this method is extremely simple because it times. There is no limitation to deal with problems related neutrons sources with an arbitrary distribution and in principle the application of this technique can be extended to unhomogeneous environments. (author)
Energy Technology Data Exchange (ETDEWEB)
Bailey, T S; Chang, J H; Warsa, J S; Adams, M L
2010-12-22
We present a new spatial discretization of the discrete-ordinates transport equation in two-dimensional Cartesian (X-Y) geometry for arbitrary polygonal meshes. The discretization is a discontinuous finite element method (DFEM) that utilizes piecewise bi-linear (PWBL) basis functions, which are formally introduced in this paper. We also present a series of numerical results on quadrilateral and polygonal grids and compare these results to a variety of other spatial discretizations that have been shown to be successful on these grid types. Finally, we note that the properties of the PWBL basis functions are such that the leading-order piecewise bi-linear discontinuous finite element (PWBLD) solution will satisfy a reasonably accurate diffusion discretization in the thick diffusion limit, making the PWBLD method a viable candidate for many different classes of transport problems.
Energy Technology Data Exchange (ETDEWEB)
Pinchedez, K
1999-06-01
Parallel computing meets the ever-increasing requirements for neutronic computer code speed and accuracy. In this work, two different approaches have been considered. We first parallelized the sequential algorithm used by the neutronics code CRONOS developed at the French Atomic Energy Commission. The algorithm computes the dominant eigenvalue associated with PN simplified transport equations by a mixed finite element method. Several parallel algorithms have been developed on distributed memory machines. The performances of the parallel algorithms have been studied experimentally by implementation on a T3D Cray and theoretically by complexity models. A comparison of various parallel algorithms has confirmed the chosen implementations. We next applied a domain sub-division technique to the two-group diffusion Eigen problem. In the modal synthesis-based method, the global spectrum is determined from the partial spectra associated with sub-domains. Then the Eigen problem is expanded on a family composed, on the one hand, from eigenfunctions associated with the sub-domains and, on the other hand, from functions corresponding to the contribution from the interface between the sub-domains. For a 2-D homogeneous core, this modal method has been validated and its accuracy has been measured. (author)
Stabilizing the thermal lattice Boltzmann method by spatial filtering.
Gillissen, J J J
2016-10-01
We propose to stabilize the thermal lattice Boltzmann method by filtering the second- and third-order moments of the collision operator. By means of the Chapman-Enskog expansion, we show that the additional numerical diffusivity diminishes in the low-wavnumber limit. To demonstrate the enhanced stability, we consider a three-dimensional thermal lattice Boltzmann system involving 33 discrete velocities. Filtering extends the linear stability of this thermal lattice Boltzmann method to 10-fold smaller transport coefficients. We further demonstrate that the filtering does not compromise the accuracy of the hydrodynamics by comparing simulation results to reference solutions for a number of standardized test cases, including natural convection in two dimensions.
Hypocoercivity for linear kinetic equations conserving mass
Dolbeault, Jean
2015-02-03
We develop a new method for proving hypocoercivity for a large class of linear kinetic equations with only one conservation law. Local mass conservation is assumed at the level of the collision kernel, while transport involves a confining potential, so that the solution relaxes towards a unique equilibrium state. Our goal is to evaluate in an appropriately weighted $ L^2$ norm the exponential rate of convergence to the equilibrium. The method covers various models, ranging from diffusive kinetic equations like Vlasov-Fokker-Planck equations, to scattering models or models with time relaxation collision kernels corresponding to polytropic Gibbs equilibria, including the case of the linear Boltzmann model. In this last case and in the case of Vlasov-Fokker-Planck equations, any linear or superlinear growth of the potential is allowed. - See more at: http://www.ams.org/journals/tran/2015-367-06/S0002-9947-2015-06012-7/#sthash.ChjyK6rc.dpuf
Fourier analysis of a new P1 synthetic acceleration for Sn transport equations
International Nuclear Information System (INIS)
Turcksin, B.; Ragusa, J. C.
2010-10-01
In this work, is derived a new P1 synthetic acceleration scheme (P1SA) for the S N transport equation and analyze its convergence properties through the means of a Fourier analysis. The Fourier analysis is carried out for both continuous (i.e., not spatially discretized) S N equations and linear discontinuous Fem discretization. We show, thanks to the continuous analysis, that the scheme is unstable when the anisotropy is important (μ - >0.5). However, the discrete analysis shows that when cells are large in comparison to the mean free path, the spectral radius decreases and the acceleration scheme becomes effective, even for highly anisotropic scattering. In charged particles transport, scattering is highly anisotropic and mean free paths are very small and, thus, this scheme could be of interest. To use the P1SA when cells are small and anisotropy is important, the scheme is modified by altering the update of the accelerated flux or by using either K transport sweeps before the application of P1SA. The update scheme performs well as long as μ - - ≥0.9, the modified update scheme is unstable. The multiple transport sweeps scheme is convergent with an arbitrary μ - but the spectral radius increases when scattering is isotropic. When anisotropic increases, the frequency of use of the acceleration scheme needs to be decreased. Even if the P1SA is used less often, the spectral radius is significantly smaller when compared with a method that does not use it for high anisotropy (μ - ≥0.5). It is interesting to notice that using P1SA every two iterations gives the same spectral radius than the update method when μ - ≥0.5 but it is much less efficient when μ - <0.5. (Author)
Application of preconditioned GMRES to the numerical solution of the neutron transport equation
International Nuclear Information System (INIS)
Patton, B.W.; Holloway, J.P.
2002-01-01
The generalized minimal residual (GMRES) method with right preconditioning is examined as an alternative to both standard and accelerated transport sweeps for the iterative solution of the diamond differenced discrete ordinates neutron transport equation. Incomplete factorization (ILU) type preconditioners are used to determine their effectiveness in accelerating GMRES for this application. ILU(τ), which requires the specification of a dropping criteria τ, proves to be a good choice for the types of problems examined in this paper. The combination of ILU(τ) and GMRES is compared with both DSA and unaccelerated transport sweeps for several model problems. It is found that the computational workload of the ILU(τ)-GMRES combination scales nonlinearly with the number of energy groups and quadrature order, making this technique most effective for problems with a small number of groups and discrete ordinates. However, the cost of preconditioner construction can be amortized over several calculations with different source and/or boundary values. Preconditioners built upon standard transport sweep algorithms are also evaluated as to their effectiveness in accelerating the convergence of GMRES. These preconditioners show better scaling with such problem parameters as the scattering ratio, the number of discrete ordinates, and the number of spatial meshes. These sweeps based preconditioners can also be cast in a matrix free form that greatly reduces storage requirements
Development of computational two-phase flow analysis code with interfacial area transport equation
International Nuclear Information System (INIS)
Bae, B.U.; Park, G.C.; Yoon, H.Y.; Euh, D.J.; Song, C.H.
2007-01-01
In the two-phase flow analysis with two-fluid model, interfacial area concentration (IAC) is a dominant factor governing the interfacial transfer of momentum and energy. In order to overcome the shortcomings of experimental correlation for IAC, such as the dependency on the flow regime, multi-dimensional computational fluid dynamics (CFD) code was developed with the interfacial area transport equation. The code is based on two-fluid model and simplified marker and cell (SMAC) algorithm using the finite volume method, and the conventional approach in single-phase flow has been modified in order to consider the term of phase change. Also, instead of a static one-dimensional correlation for IAC, the code adopted the one-group interfacial area transport equation which includes source terms with respect to the coalescence and breakup of bubbles, and the phase change such as evaporation or condensation. As benchmark problems of single-phase flow and two-phase flow, the natural convection in rectangular cavity and the subcooled boiling in vertical annulus channel were analyzed, respectively. In the calculation for single-phase flow, the developed code predicted reasonable behavior of buoyancy-driven flow depending on Rayleigh number, so that the robustness in calculation capability of each phase has been confirmed. In the analysis for the subcooled boiling experiment performed in Seoul National University, the calculation results represented the reasonable capability in predicting the multi-dimensional phenomena such as vapor generation and void propagation. (authors)
Development of computational two-phase flow analysis code with interfacial area transport equation
Energy Technology Data Exchange (ETDEWEB)
Bae, B.U.; Park, G.C. [Seoul National Univ., Dept. of Nuclear Engineering (Korea, Republic of); Yoon, H.Y.; Euh, D.J.; Song, C.H. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)
2007-07-01
In the two-phase flow analysis with two-fluid model, interfacial area concentration (IAC) is a dominant factor governing the interfacial transfer of momentum and energy. In order to overcome the shortcomings of experimental correlation for IAC, such as the dependency on the flow regime, multi-dimensional computational fluid dynamics (CFD) code was developed with the interfacial area transport equation. The code is based on two-fluid model and simplified marker and cell (SMAC) algorithm using the finite volume method, and the conventional approach in single-phase flow has been modified in order to consider the term of phase change. Also, instead of a static one-dimensional correlation for IAC, the code adopted the one-group interfacial area transport equation which includes source terms with respect to the coalescence and breakup of bubbles, and the phase change such as evaporation or condensation. As benchmark problems of single-phase flow and two-phase flow, the natural convection in rectangular cavity and the subcooled boiling in vertical annulus channel were analyzed, respectively. In the calculation for single-phase flow, the developed code predicted reasonable behavior of buoyancy-driven flow depending on Rayleigh number, so that the robustness in calculation capability of each phase has been confirmed. In the analysis for the subcooled boiling experiment performed in Seoul National University, the calculation results represented the reasonable capability in predicting the multi-dimensional phenomena such as vapor generation and void propagation. (authors)
International Nuclear Information System (INIS)
Bae, Byoung-Uhn; Park, Goon-Cherl; Yoon, Han-Young; Euh, Dong-Jin; Song, Chul-Hwa
2008-01-01
For a multidimensional analysis of a two-phase flow, a computational fluid dynamics (CFD) code was developed with the implementation of an interfacial area transport equation that is beneficial for dynamically estimating the interfacial area concentration (IAC). The code structure was based on the two-fluid model and the Simplified Marker and Cell (SMAC) algorithm. The SAMC algorithm was extended to a two-phase flow simulation with a phase change. Various well-known constitutive models regarding boiling, condensation, and nondrag forces have been implemented into the code. To verify the robustness of the code to predict wall boiling and void propagation phenomena, a subcooled boiling test in a vertical annulus channel was analyzed as a benchmark problem. As the analysis results, a model for bubble departure diameter on the heated wall was identified as the principal factor for subcooled boiling phenomena, and the limitation of the current departure diameter models under a low-pressure condition resulted in a deviation of the void fraction and IAC when compared with the results of the experiment. It is necessary that the research on the interfacial area transport equation focuses on modeling reliable source terms for the boiling mechanism as a future work. (author)
Mehdinejadiani, Behrouz
2017-08-01
This study represents the first attempt to estimate the solute transport parameters of the spatial fractional advection-dispersion equation using Bees Algorithm. The numerical studies as well as the experimental studies were performed to certify the integrity of Bees Algorithm. The experimental ones were conducted in a sandbox for homogeneous and heterogeneous soils. A detailed comparative study was carried out between the results obtained from Bees Algorithm and those from Genetic Algorithm and LSQNONLIN routines in FracFit toolbox. The results indicated that, in general, the Bees Algorithm much more accurately appraised the sFADE parameters in comparison with Genetic Algorithm and LSQNONLIN, especially in the heterogeneous soil and for α values near to 1 in the numerical study. Also, the results obtained from Bees Algorithm were more reliable than those from Genetic Algorithm. The Bees Algorithm showed the relative similar performances for all cases, while the Genetic Algorithm and the LSQNONLIN yielded different performances for various cases. The performance of LSQNONLIN strongly depends on the initial guess values so that, compared to the Genetic Algorithm, it can more accurately estimate the sFADE parameters by taking into consideration the suitable initial guess values. To sum up, the Bees Algorithm was found to be very simple, robust and accurate approach to estimate the transport parameters of the spatial fractional advection-dispersion equation.
A numerical spectral approach to solve the dislocation density transport equation
International Nuclear Information System (INIS)
Djaka, K S; Taupin, V; Berbenni, S; Fressengeas, C
2015-01-01
A numerical spectral approach is developed to solve in a fast, stable and accurate fashion, the quasi-linear hyperbolic transport equation governing the spatio-temporal evolution of the dislocation density tensor in the mechanics of dislocation fields. The approach relies on using the Fast Fourier Transform algorithm. Low-pass spectral filters are employed to control both the high frequency Gibbs oscillations inherent to the Fourier method and the fast-growing numerical instabilities resulting from the hyperbolic nature of the transport equation. The numerical scheme is validated by comparison with an exact solution in the 1D case corresponding to dislocation dipole annihilation. The expansion and annihilation of dislocation loops in 2D and 3D settings are also produced and compared with finite element approximations. The spectral solutions are shown to be stable, more accurate for low Courant numbers and much less computation time-consuming than the finite element technique based on an explicit Galerkin-least squares scheme. (paper)
LOCFES-B: Solving the one-dimensional transport equation with user-selected spatial approximations
International Nuclear Information System (INIS)
Jarvis, R.D.; Nelson, P.
1993-01-01
Closed linear one-cell functional (CLOF) methods constitute an abstractly defined class of spatial approximations to the one-dimensional discrete ordinates equations of linear particle transport that encompass, as specific instances, the vast majority of the spatial approximations that have been either used or suggested in the computational solution of these equations. A specific instance of the class of CLOF methods is defined by a (typically small) number of functions of the cell width, total cross section, and direction cosine of particle motion. The LOCFES code takes advantage of the latter observation by permitting the use, within a more-or-less standard source iteration solution process, of an arbitrary CLOF method as defined by a user-supplied subroutine. The design objective of LOCFES was to provide automated determination of the order of accuracy (i.e., order of the discretization error) in the fine-mesh limit for an arbitrary user-selected CLOF method. This asymptotic order of accuracy is one widely used measure of the merit of a spatial approximation. This paper discusses LOCFES-B, which is a code that uses methods developed in LOCFES to solve one-dimensional linear particle transport problems with any user-selected CLOF method. LOCFES-B provides automatic solution of a given problem to within an accuracy specified by user input and provides comparison of the computational results against results from externally provided benchmark results
International Nuclear Information System (INIS)
Mugica R, C.A.; Valle G, E. del
2005-01-01
In 2002, E. del Valle and Ernest H. Mund developed a technique to solve numerically the Neutron transport equations in discrete ordinates and hexagonal geometry using two nodal schemes type finite element weakly discontinuous denominated WD 5,3 and WD 12,8 (of their initials in english Weakly Discontinuous). The technique consists on representing each hexagon in the union of three rhombuses each one of which it is transformed in a square in the one that the methods WD 5,3 and WD 12,8 were applied. In this work they are solved the mentioned equations of transport using the same discretization technique by hexagon but using two nodal schemes type finite element strongly discontinuous denominated SD 3 and SD 8 (of their initials in english Strongly Discontinuous). The application in each case as well as a reference problem for those that results are provided for the effective multiplication factor is described. It is carried out a comparison with the obtained results by del Valle and Mund for different discretization meshes so much angular as spatial. (Author)
Directory of Open Access Journals (Sweden)
Kovačić Nataša
2015-11-01
Full Text Available The paper addresses the effect of external integration (EI with transport suppliers on the efficiency of travel agencies in the tourism sector supply chains. The main aim is the comparison of different estimation methods used in the structural equation modeling (SEM, applied to discover possible relationships between EIs and efficiencies. The latter are calculated by the means of data envelopment analysis (DEA. While designing the structural equation model, the exploratory and confirmatory factor analyses are also used as preliminary statistical procedures. For the estimation of parameters of SEM model, three different methods are explained, analyzed and compared: maximum likelihood (ML method, Bayesian Markov Chain Monte Carlo (BMCMC method, and unweighted least squares (ULS method. The study reveals that all estimation methods calculate comparable estimated parameters. The results also give an evidence of good model fit performance. Besides, the research confirms that the amplified external integration with transport providers leads to increased efficiency of travel agencies, which might be a very interesting finding for the operational management.
International Nuclear Information System (INIS)
Delfin L, A.
1996-01-01
The purpose of this work is to solve the neutron transport equation in discrete-ordinates and X-Y geometry by developing and using the strong discontinuous and strong modified discontinuous nodal finite element schemes. The strong discontinuous and modified strong discontinuous nodal finite element schemes go from two to ten interpolation parameters per cell. They are describing giving a set D c and polynomial space S c corresponding for each scheme BDMO, RTO, BL, BDM1, HdV, BDFM1, RT1, BQ and BDM2. The solution is obtained solving the neutron transport equation moments for each nodal scheme by developing the basis functions defined by Pascal triangle and the Legendre moments giving in the polynomial space S c and, finally, looking for the non singularity of the resulting linear system. The linear system is numerically solved using a computer program for each scheme mentioned . It uses the LU method and forward and backward substitution and makes a partition of the domain in cells. The source terms and angular flux are calculated, using the directions and weights associated to the S N approximation and solving the angular flux moments to find the effective multiplication constant. The programs are written in Fortran language, using the dynamic allocation of memory to increase efficiently the available memory of the computing equipment. (Author)
Finite moments approach to the time-dependent neutron transport equation
International Nuclear Information System (INIS)
Kim, Sang Hyun
1994-02-01
Currently, nodal techniques are widely used in solving the multidimensional diffusion equation because of savings in computing time and storage. Thanks to the development of computer technology, one can now solve the transport equation instead of the diffusion equation to obtain more accurate solution. The finite moments method, one of the nodal methods, attempts to represent the fluxes in the cell and on cell surfaces more rigorously by retaining additional spatial moments. Generally, there are two finite moments schemes to solve the time-dependent transport equation. In one, the time variable is treated implicitly with finite moments method in space variable (implicit finite moments method), the other method uses finite moments method in both space and time (space-time finite moments method). In this study, these two schemes are applied to two types of time-dependent neutron transport problems. One is a fixed source problem, the other a heterogeneous fast reactor problem with delayed neutrons. From the results, it is observed that the two finite moments methods give almost the same solutions in both benchmark problems. However, the space-time finite moments method requires a little longer computing time than that of the implicit finite moments method. In order to reduce the longer computing time in the space-time finite moments method, a new iteration strategy is exploited, where a few time-stepwise calculation, in which original time steps are grouped into several coarse time divisions, is performed sequentially instead of performing iterations over the entire time steps. This strategy results in significant reduction of the computing time and we observe that 2-or 3-stepwise calculation is preferable. In addition, we propose a new finite moments method which is called mixed finite moments method in this thesis. Asymptotic analysis for the finite moments method shows that accuracy of the solution in a heterogeneous problem mainly depends on the accuracy of the
Adaptive Non-Boltzmann Monte Carlo
International Nuclear Information System (INIS)
Fitzgerald, M.; Picard, R.R.; Silver, R.N.
1998-01-01
This manuscript generalizes the use of transition probabilities (TPs) between states, which are efficient relative to histogram procedures in deriving system properties. The empirical TPs of the simulation depend on the importance weights and are temperature-specific, so they are not conducive to accumulating statistics as weights change or to extrapolating in temperature. To address these issues, the authors provide a method for inferring Boltzmann-weighted TPs for one temperature from simulations run at other temperatures and/or at different adaptively varying importance weights. They refer to these as canonical transition probabilities (CTPs). System properties are estimated from CTPs. Statistics on CTPs are gathered by inserting a low-cost easily-implemented bookkeeping step into the Metropolis algorithm for non-Boltzmann sampling. The CTP method is inherently adaptive, can take advantage of partitioning of the state space into small regions using either serial or (embarrassingly) parallel architectures, and reduces variance by avoiding histogramming. They also demonstrate how system properties may be extrapolated in temperature from CTPs without the extra memory required by using energy as a microstate label. Nor does it require the solution of non-linear equations used in histogram methods
On a nonlinear degenerate parabolic transport-diffusion equation with a discontinuous coefficient
Directory of Open Access Journals (Sweden)
John D. Towers
2002-10-01
Full Text Available We study the Cauchy problem for the nonlinear (possibly strongly degenerate parabolic transport-diffusion equation $$ partial_t u + partial_x (gamma(xf(u=partial_x^2 A(u, quad A'(cdotge 0, $$ where the coefficient $gamma(x$ is possibly discontinuous and $f(u$ is genuinely nonlinear, but not necessarily convex or concave. Existence of a weak solution is proved by passing to the limit as $varepsilondownarrow 0$ in a suitable sequence ${u_{varepsilon}}_{varepsilon>0}$ of smooth approximations solving the problem above with the transport flux $gamma(xf(cdot$ replaced by $gamma_{varepsilon}(xf(cdot$ and the diffusion function $A(cdot$ replaced by $A_{varepsilon}(cdot$, where $gamma_{varepsilon}(cdot$ is smooth and $A_{varepsilon}'(cdot>0$. The main technical challenge is to deal with the fact that the total variation $|u_{varepsilon}|_{BV}$ cannot be bounded uniformly in $varepsilon$, and hence one cannot derive directly strong convergence of ${u_{varepsilon}}_{varepsilon>0}$. In the purely hyperbolic case ($A'equiv 0$, where existence has already been established by a number of authors, all existence results to date have used a singular maolinebreak{}pping to overcome the lack of a variation bound. Here we derive instead strong convergence via a series of a priori (energy estimates that allow us to deduce convergence of the diffusion function and use the compensated compactness method to deal with the transport term. Submitted April 29, 2002. Published October 27, 2002. Math Subject Classifications: 35K65, 35D05, 35R05, 35L80 Key Words: Degenerate parabolic equation; nonconvex flux; weak solution; discontinuous coefficient; viscosity method; a priori estimates; compensated compactness
International Nuclear Information System (INIS)
Sanchez, Richard; Rabiti, Cristian; Wang, Yaqi
2013-01-01
Nonlinear acceleration of a continuous finite element (CFE) discretization of the transport equation requires a modification of the transport solution in order to achieve local conservation, a condition used in nonlinear acceleration to define the stopping criterion. In this work we implement a coarse-mesh finite difference acceleration for a CFE discretization of the second-order self-adjoint angular flux (SAAF) form of the transport equation and use a postprocessing to enforce local conservation. Numerical results are given for one-group source calculations of one-dimensional slabs. We also give a novel formal derivation of the boundary conditions for the SAAF. (authors)
On the Boltzmann-Grad Limit for Smooth Hard-Sphere Systems
Tessarotto, Massimo; Cremaschini, Claudio; Mond, Michael; Asci, Claudio; Soranzo, Alessandro; Tironi, Gino
2018-03-01
The problem is posed of the prescription of the so-called Boltzmann-Grad limit operator (L_{BG}) for the N-body system of smooth hard-spheres which undergo unary, binary as well as multiple elastic instantaneous collisions. It is proved, that, despite the non-commutative property of the operator L_{BG}, the Boltzmann equation can nevertheless be uniquely determined. In particular, consistent with the claim of Uffink and Valente (Found Phys 45:404, 2015) that there is "no time-asymmetric ingredient" in its derivation, the Boltzmann equation is shown to be time-reversal symmetric. The proof is couched on the "ab initio" axiomatic approach to the classical statistical mechanics recently developed (Tessarotto et al. in Eur Phys J Plus 128:32, 2013). Implications relevant for the physical interpretation of the Boltzmann H-theorem and the phenomenon of decay to kinetic equilibrium are pointed out.
Lattice Boltzmann model for thermal binary-mixture gas flows.
Kang, Jinfen; Prasianakis, Nikolaos I; Mantzaras, John
2013-05-01
A lattice Boltzmann model for thermal gas mixtures is derived. The kinetic model is designed in a way that combines properties of two previous literature models, namely, (a) a single-component thermal model and (b) a multicomponent isothermal model. A comprehensive platform for the study of various practical systems involving multicomponent mixture flows with large temperature differences is constructed. The governing thermohydrodynamic equations include the mass, momentum, energy conservation equations, and the multicomponent diffusion equation. The present model is able to simulate mixtures with adjustable Prandtl and Schmidt numbers. Validation in several flow configurations with temperature and species concentration ratios up to nine is presented.
Fundamental aspects of plasma chemical physics transport
Capitelli, Mario; Laricchiuta, Annarita
2013-01-01
Fundamental Aspects of Plasma Chemical Physics: Tranpsort develops basic and advanced concepts of plasma transport to the modern treatment of the Chapman-Enskog method for the solution of the Boltzmann transport equation. The book invites the reader to consider actual problems of the transport of thermal plasmas with particular attention to the derivation of diffusion- and viscosity-type transport cross sections, stressing the role of resonant charge-exchange processes in affecting the diffusion-type collision calculation of viscosity-type collision integrals. A wide range of topics is then discussed including (1) the effect of non-equilibrium vibrational distributions on the transport of vibrational energy, (2) the role of electronically excited states in the transport properties of thermal plasmas, (3) the dependence of transport properties on the multitude of Saha equations for multi-temperature plasmas, and (4) the effect of the magnetic field on transport properties. Throughout the book, worked examples ...
Directory of Open Access Journals (Sweden)
Yoshinobu Tanaka
2012-01-01
Full Text Available The overall membrane pair characteristics included in the overall mass transport equation are understandable using the phenomenological equations expressed in the irreversible thermodynamics. In this investigation, the overall membrane pair characteristics (overall transport number , overall solute permeability , overall electro-osmotic permeability and overall hydraulic permeability were measured by seawater electrodialysis changing current density, temperature and salt concentration, and it was found that occasionally takes minus value. For understanding the above phenomenon, new concept of the overall concentration reflection coefficient ∗ is introduced from the phenomenological equation. This is the aim of this investigation. ∗ is defined for describing the permselectivity between solutes and water molecules in the electrodialysis system just after an electric current interruption. ∗ is expressed by the function of and . ∗ is generally larger than 1 and is positive, but occasionally ∗ becomes less than 1 and becomes negative. Negative means that ions are transferred with water molecules (solvent from desalting cells toward concentrating cells just after an electric current interruption, indicating up-hill transport or coupled transport between water molecules and solutes.
Directory of Open Access Journals (Sweden)
Pawlasova Pavlina
2015-12-01
Full Text Available Satisfaction is one of the key factors which influences customer loyalty. We assume that the satisfied customer will be willing to use the ssame service provider again. The overall passengers´ satisfaction with public city transport may be affected by the overall service quality. Frequency, punctuality, cleanliness in the vehicle, proximity, speed, fare, accessibility and safety of transport, information and other factors can influence passengers´ satisfaction. The aim of this paper is to quantify factors and identify the most important factors influencing customer satisfaction with public city transport within conditions of the Czech Republic. Two methods of analysis are applied in order to fulfil the aim. The method of factor analysis and the method Varimax were used in order to categorize variables according to their mutual relations. The method of structural equation modelling was used to evaluate the factors and validate the model. Then, the optimal model was found. The logistic parameters, including service continuity and frequency, and service, including information rate, station proximity and vehicle cleanliness, are the factors influencing passengers´ satisfaction on a large scale.
International Nuclear Information System (INIS)
Surya Mohan, P.; Tarvainen, Tanja; Schweiger, Martin; Pulkkinen, Aki; Arridge, Simon R.
2011-01-01
Highlights: → We developed a variable order global basis scheme to solve light transport in 3D. → Based on finite elements, the method can be applied to a wide class of geometries. → It is computationally cheap when compared to the fixed order scheme. → Comparisons with local basis method and other models demonstrate its accuracy. → Addresses problems encountered n modeling of light transport in human brain. - Abstract: We propose the P N approximation based on a finite element framework for solving the radiative transport equation with optical tomography as the primary application area. The key idea is to employ a variable order spherical harmonic expansion for angular discretization based on the proximity to the source and the local scattering coefficient. The proposed scheme is shown to be computationally efficient compared to employing homogeneously high orders of expansion everywhere in the domain. In addition the numerical method is shown to accurately describe the void regions encountered in the forward modeling of real-life specimens such as infant brains. The accuracy of the method is demonstrated over three model problems where the P N approximation is compared against Monte Carlo simulations and other state-of-the-art methods.
Polar Coordinate Lattice Boltzmann Kinetic Modeling of Detonation Phenomena
International Nuclear Information System (INIS)
Lin Chuan-Dong; Li Ying-Jun; Xu Ai-Guo; Zhang Guang-Cai
2014-01-01
A novel polar coordinate lattice Boltzmann kinetic model for detonation phenomena is presented and applied to investigate typical implosion and explosion processes. In this model, the change of discrete distribution function due to local chemical reaction is dynamically coupled into the modified lattice Boltzmann equation which could recover the Navier—Stokes equations, including contribution of chemical reaction, via the Chapman—Enskog expansion. For the numerical investigations, the main focuses are the nonequilibrium behaviors in these processes. The system at the disc center is always in its thermodynamic equilibrium in the highly symmetric case. The internal kinetic energies in different degrees of freedom around the detonation front do not coincide. The dependence of the reaction rate on the pressure, influences of the shock strength and reaction rate on the departure amplitude of the system from its local thermodynamic equilibrium are probed. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)
Lattice Boltzmann model for three-phase viscoelastic fluid flow
Xie, Chiyu; Lei, Wenhai; Wang, Moran
2018-02-01
A lattice Boltzmann (LB) framework is developed for simulation of three-phase viscoelastic fluid flows in complex geometries. This model is based on a Rothman-Keller type model for immiscible multiphase flows which ensures mass conservation of each component in porous media even for a high density ratio. To account for the viscoelastic effects, the Maxwell constitutive relation is correctly introduced into the momentum equation, which leads to a modified lattice Boltzmann evolution equation for Maxwell fluids by removing the normal but excess viscous term. Our simulation tests indicate that this excess viscous term may induce significant errors. After three benchmark cases, the displacement processes of oil by dispersed polymer are studied as a typical example of three-phase viscoelastic fluid flow. The results show that increasing either the polymer intrinsic viscosity or the elastic modulus will enhance the oil recovery.
Phonon hydrodynamics for nanoscale heat transport at ordinary temperatures
Guo, Yangyu; Wang, Moran
2018-01-01
The classical Fourier's law fails in extremely small and ultrafast heat conduction even at ordinary temperatures due to strong thermodynamic nonequilibrium effects. In this work, a macroscopic phonon hydrodynamic equation beyond Fourier's law with a relaxation term and nonlocal terms is derived through a perturbation expansion to the phonon Boltzmann equation around a four-moment nonequilibrium solution. The temperature jump and heat flux tangential retardant boundary conditions are developed based on the Maxwell model of the phonon-boundary interaction. Extensive steady-state and transient nanoscale heat transport cases are modeled by the phonon hydrodynamic model, which produces quantitative predictions in good agreement with available phonon Boltzmann equation solutions and experimental results. The phonon hydrodynamic model provides a simple and elegant mathematical description of non-Fourier heat conduction with a clear and intuitive physical picture. The present work will promote deeper understanding and macroscopic modeling of heat transport in extreme states.
Directory of Open Access Journals (Sweden)
Stuart Bartlett
2017-08-01
Full Text Available The lattice Boltzmann method is an efficient computational fluid dynamics technique that can accurately model a broad range of complex systems. As well as single-phase fluids, it can simulate thermohydrodynamic systems and passive scalar advection. In recent years, it also gained attention as a means of simulating chemical phenomena, as interest in self-organization processes increased. This paper will present a widely-used and versatile lattice Boltzmann model that can simultaneously incorporate fluid dynamics, heat transfer, buoyancy-driven convection, passive scalar advection, chemical reactions and enthalpy changes. All of these effects interact in a physically accurate framework that is simple to code and readily parallelizable. As well as a complete description of the model equations, several example systems will be presented in order to demonstrate the accuracy and versatility of the method. New simulations, which analyzed the effect of a reversible reaction on the transport properties of a convecting fluid, will also be described in detail. This extra chemical degree of freedom was utilized by the system to augment its net heat flux. The numerical method outlined in this paper can be readily deployed for a vast range of complex flow problems, spanning a variety of scientific disciplines.
Simulating gas-liquid flow in a micro-channel with the lattice Boltzmann method
Shi, Grace; Lazouskaya, Volha; Jin, Yan; Wang, Lian-Ping
2007-11-01
The flows of water in natural soil porous media with air-water interface are important to colloid-facilitated transport of contaminants and other phenomena with groundwater as the carrier. These flows are complex in terms of the geometrical feature and physical and chemical forces involved. As first step, we here demonstrate that a gas-liquid interfacial viscous flow in a 3D micro-channel with a square cross-section can be simulated using the lattice Boltzmann method. The talk will cover the detailed ingredients of the two-phase LBE model including the proper equation of state, surface tension, and the triple-phase boundary conditions. Methods to improve the stability of the code such as using multiple relaxation times will be tested. Preliminary results will be presented and compared to parallel experimental observations using confocal laser scanning microscopy.
libmpdata++ 0.1: a library of parallel MPDATA solvers for systems of generalised transport equations
Jaruga, A.; Arabas, S.; Jarecka, D.; Pawlowska, H.; Smolarkiewicz, P. K.; Waruszewski, M.
2014-11-01
This paper accompanies first release of libmpdata++, a C++ library implementing the Multidimensional Positive-Definite Advection Transport Algorithm (MPDATA). The library offers basic numerical solvers for systems of generalised transport equations. The solvers are forward-in-time, conservative and non-linearly stable. The libmpdata++ library covers the basic second-order-accurate formulation of MPDATA, its third-order variant, the infinite-gauge option for variable-sign fields and a flux-corrected transport extension to guarantee non-oscillatory solutions. The library is equipped with a non-symmetric variational elliptic solver for implicit evaluation of pressure gradient terms. All solvers offer parallelisation through domain decomposition using shared-memory parallelisation. The paper describes the library programming interface, and serves as a user guide. Supported options are illustrated with benchmarks discussed in the MPDATA literature. Benchmark descriptions include code snippets as well as quantitative representations of simulation results. Examples of applications include: homogeneous transport in one, two and three dimensions in Cartesian and spherical domains; shallow-water system compared with analytical solution (originally derived for a 2-D case); and a buoyant convection problem in an incompressible Boussinesq fluid with interfacial instability. All the examples are implemented out of the library tree. Regardless of the differences in the problem dimensionality, right-hand-side terms, boundary conditions and parallelisation approach, all the examples use the same unmodified library, which is a key goal of libmpdata++ design. The design, based on the principle of separation of concerns, prioritises the user and developer productivity. The libmpdata++ library is implemented in C++, making use of the Blitz++ multi-dimensional array containers, and is released as free/libre and open-source software.
libmpdata++ 1.0: a library of parallel MPDATA solvers for systems of generalised transport equations
Jaruga, A.; Arabas, S.; Jarecka, D.; Pawlowska, H.; Smolarkiewicz, P. K.; Waruszewski, M.
2015-04-01
This paper accompanies the first release of libmpdata++, a C++ library implementing the multi-dimensional positive-definite advection transport algorithm (MPDATA) on regular structured grid. The library offers basic numerical solvers for systems of generalised transport equations. The solvers are forward-in-time, conservative and non-linearly stable. The libmpdata++ library covers the basic second-order-accurate formulation of MPDATA, its third-order variant, the infinite-gauge option for variable-sign fields and a flux-corrected transport extension to guarantee non-oscillatory solutions. The library is equipped with a non-symmetric variational elliptic solver for implicit evaluation of pressure gradient terms. All solvers offer parallelisation through domain decomposition using shared-memory parallelisation. The paper describes the library programming interface, and serves as a user guide. Supported options are illustrated with benchmarks discussed in the MPDATA literature. Benchmark descriptions include code snippets as well as quantitative representations of simulation results. Examples of applications include homogeneous transport in one, two and three dimensions in Cartesian and spherical domains; a shallow-water system compared with analytical solution (originally derived for a 2-D case); and a buoyant convection problem in an incompressible Boussinesq fluid with interfacial instability. All the examples are implemented out of the library tree. Regardless of the differences in the problem dimensionality, right-hand-side terms, boundary conditions and parallelisation approach, all the examples use the same unmodified library, which is a key goal of libmpdata++ design. The design, based on the principle of separation of concerns, prioritises the user and developer productivity. The libmpdata++ library is implemented in C++, making use of the Blitz++ multi-dimensional array containers, and is released as free/libre and open-source software.
libmpdata++ 1.0: a library of parallel MPDATA solvers for systems of generalised transport equations
Directory of Open Access Journals (Sweden)
A. Jaruga
2015-04-01
Full Text Available This paper accompanies the first release of libmpdata++, a C++ library implementing the multi-dimensional positive-definite advection transport algorithm (MPDATA on regular structured grid. The library offers basic numerical solvers for systems of generalised transport equations. The solvers are forward-in-time, conservative and non-linearly stable. The libmpdata++ library covers the basic second-order-accurate formulation of MPDATA, its third-order variant, the infinite-gauge option for variable-sign fields and a flux-corrected transport extension to guarantee non-oscillatory solutions. The library is equipped with a non-symmetric variational elliptic solver for implicit evaluation of pressure gradient terms. All solvers offer parallelisation through domain decomposition using shared-memory parallelisation. The paper describes the library programming interface, and serves as a user guide. Supported options are illustrated with benchmarks discussed in the MPDATA literature. Benchmark descriptions include code snippets as well as quantitative representations of simulation results. Examples of applications include homogeneous transport in one, two and three dimensions in Cartesian and spherical domains; a shallow-water system compared with analytical solution (originally derived for a 2-D case; and a buoyant convection problem in an incompressible Boussinesq fluid with interfacial instability. All the examples are implemented out of the library tree. Regardless of the differences in the problem dimensionality, right-hand-side terms, boundary conditions and parallelisation approach, all the examples use the same unmodified library, which is a key goal of libmpdata++ design. The design, based on the principle of separation of concerns, prioritises the user and developer productivity. The libmpdata++ library is implemented in C++, making use of the Blitz++ multi-dimensional array containers, and is released as free/libre and open-source software.
Hu, Junbao; Meng, Xin; Wei, Qi; Kong, Yan; Jiang, Zhilong; Xue, Liang; Liu, Fei; Liu, Cheng; Wang, Shouyu
2018-03-01
Wide-field microscopy is commonly used for sample observations in biological research and medical diagnosis. However, the tilting error induced by the oblique location of the image recorder or the sample, as well as the inclination of the optical path often deteriorates the imaging quality. In order to eliminate the tilting in microscopy, a numerical tilting compensation technique based on wavefront sensing using transport of intensity equation method is proposed in this paper. Both the provided numerical simulations and practical experiments prove that the proposed technique not only accurately determines the tilting angle with simple setup and procedures, but also compensates the tilting error for imaging quality improvement even in the large tilting cases. Considering its simple systems and operations, as well as image quality improvement capability, it is believed the proposed method can be applied for tilting compensation in the optical microscopy.
On the spectral analysis of iterative solutions of the discretized one-group transport equation
International Nuclear Information System (INIS)
Sanchez, Richard
2004-01-01
We analyze the Fourier-mode technique used for the spectral analysis of iterative solutions of the one-group discretized transport equation. We introduce a direct spectral analysis for the iterative solution of finite difference approximations for finite slabs composed of identical layers, providing thus a complementary analysis that is more appropriate for reactor applications. Numerical calculations for the method of characteristics and with the diamond difference approximation show the appearance of antisymmetric modes generated by the iteration on boundary data. We have also utilized the discrete Fourier transform to compute the spectrum for a periodic slab containing N identical layers and shown that at the limit N → ∞ one obtains the familiar Fourier-mode solution
Program to solve the multigroup discrete ordinates transport equation in (x,y,z) geometry
International Nuclear Information System (INIS)
Lathrop, K.D.
1976-04-01
Numerical formulations and programming algorithms are given for the THREETRAN computer program which solves the discrete ordinates, multigroup transport equation in (x,y,z) geometry. An efficient, flexible, and general data-handling strategy is derived to make use of three hierarchies of storage: small core memory, large core memory, and disk file. Data management, input instructions, and sample problem output are described. A six-group, S 4 , 18 502 mesh point, 2 800 zone, k/sub eff/ calculation of the ZPPR-4 critical assembly required 144 min of CDC-7600 time to execute to a convergence tolerance of 5 x 10 -4 and gave results in good qualitative agreement with experiment and other calculations. 6 references
Energy Technology Data Exchange (ETDEWEB)
DeHart, Mark David [Texas A & M Univ., College Station, TX (United States)
1992-12-01
A method for applying the discrete ordinates method for solution of the neutron transport equation in arbitary two-dimensional meshes has been developed. The finite difference approach normally used to approximate spatial derivatives in extrapolating angular fluxes across a cell is replaced by direct solution of the characteristic form of the transport equation for each discrete direction. Thus, computational cells are not restricted to the traditional shape of a mesh element within a given coordinate system. However, in terms of the treatment of energy and angular dependencies, this method resembles traditional discrete ordinates techniques. Using the method developed here, a general two-dimensional space can be approximated by an irregular mesh comprised of arbitrary polygons. The present work makes no assumptions about the orientations or the number of sides in a given cell, and computes all geometric relationships between each set of sides in each cell for each discrete direction. A set of non-reentrant polygons can therefore be used to represent any given two dimensional space. Results for a number of test problems have been compared to solutions obtained from traditional methods, with good agreement. Comparisons include benchmarks against analytical results for problems with simple geometry, as well numerical results obtained from traditional discrete ordinates methods by applying the ANISN and TWOTRAN computer programs. Numerical results were obtained for problems ranging from simple one-dimensional geometry to complicated multidimensional configurations. These results have demonstrated the ability of the developed method to closely approximate complex geometrical configurations and to obtain accurate results for problems that are extremely difficult to model using traditional methods.
A lattice Boltzmann coupled to finite volumes method for solving phase change problems
Directory of Open Access Journals (Sweden)
El Ganaoui Mohammed
2009-01-01
Full Text Available A numerical scheme coupling lattice Boltzmann and finite volumes approaches has been developed and qualified for test cases of phase change problems. In this work, the coupled partial differential equations of momentum conservation equations are solved with a non uniform lattice Boltzmann method. The energy equation is discretized by using a finite volume method. Simulations show the ability of this developed hybrid method to model the effects of convection, and to predict transfers. Benchmarking is operated both for conductive and convective situation dominating solid/liquid transition. Comparisons are achieved with respect to available analytical solutions and experimental results.
Statistical mechanics of transport processes in active fluids: Equations of hydrodynamics.
Klymko, Katherine; Mandal, Dibyendu; Mandadapu, Kranthi K
2017-11-21
The equations of hydrodynamics including mass, linear momentum, angular momentum, and energy are derived by coarse-graining the microscopic equations of motion for systems consisting of rotary dumbbells driven by internal torques. In deriving the balance of linear momentum, we find that the symmetry of the stress tensor is broken due to the presence of non-zero torques on individual particles. The broken symmetry of the stress tensor induces internal spin in the fluid and leads us to consider the balance of internal angular momentum in addition to the usual moment of momentum. In the absence of spin, the moment of momentum is the same as the total angular momentum. In deriving the form of the balance of total angular momentum, we find the microscopic expressions for the couple stress tensor that drives the spin field. We show that the couple stress contains contributions from both intermolecular interactions and the active forces. The presence of spin leads to the idea of balance of moment of inertia due to the constant exchange of particles in a small neighborhood around a macroscopic point. We derive the associated balance of moment of inertia at the macroscale and identify the moment of inertia flux that induces its transport. Finally, we obtain the balances of total and internal energy of the active fluid and identify the sources of heat and heat fluxes in the system.
Multi-dimensional upwinding-based implicit LES for the vorticity transport equations
Foti, Daniel; Duraisamy, Karthik
2017-11-01
Complex turbulent flows such as rotorcraft and wind turbine wakes are characterized by the presence of strong coherent structures that can be compactly described by vorticity variables. The vorticity-velocity formulation of the incompressible Navier-Stokes equations is employed to increase numerical efficiency. Compared to the traditional velocity-pressure formulation, high order numerical methods and sub-grid scale models for the vorticity transport equation (VTE) have not been fully investigated. Consistent treatment of the convection and stretching terms also needs to be addressed. Our belief is that, by carefully designing sharp gradient-capturing numerical schemes, coherent structures can be more efficiently captured using the vorticity-velocity formulation. In this work, a multidimensional upwind approach for the VTE is developed using the generalized Riemann problem-based scheme devised by Parish et al. (Computers & Fluids, 2016). The algorithm obtains high resolution by augmenting the upwind fluxes with transverse and normal direction corrections. The approach is investigated with several canonical vortex-dominated flows including isolated and interacting vortices and turbulent flows. The capability of the technique to represent sub-grid scale effects is also assessed. Navy contract titled ``Turbulence Modelling Across Disparate Length Scales for Naval Computational Fluid Dynamics Applications,'' through Continuum Dynamics, Inc.
Statistical mechanics of transport processes in active fluids: Equations of hydrodynamics
Klymko, Katherine; Mandal, Dibyendu; Mandadapu, Kranthi K.
2017-11-01
The equations of hydrodynamics including mass, linear momentum, angular momentum, and energy are derived by coarse-graining the microscopic equations of motion for systems consisting of rotary dumbbells driven by internal torques. In deriving the balance of linear momentum, we find that the symmetry of the stress tensor is broken due to the presence of non-zero torques on individual particles. The broken symmetry of the stress tensor induces internal spin in the fluid and leads us to consider the balance of internal angular momentum in addition to the usual moment of momentum. In the absence of spin, the moment of momentum is the same as the total angular momentum. In deriving the form of the balance of total angular momentum, we find the microscopic expressions for the couple stress tensor that drives the spin field. We show that the couple stress contains contributions from both intermolecular interactions and the active forces. The presence of spin leads to the idea of balance of moment of inertia due to the constant exchange of particles in a small neighborhood around a macroscopic point. We derive the associated balance of moment of inertia at the macroscale and identify the moment of inertia flux that induces its transport. Finally, we obtain the balances of total and internal energy of the active fluid and identify the sources of heat and heat fluxes in the system.
A non-conforming 3D spherical harmonic transport solver
International Nuclear Information System (INIS)
Van Criekingen, S.
2006-01-01
A new 3D transport solver for the time-independent Boltzmann transport equation has been developed. This solver is based on the second-order even-parity form of the transport equation. The angular discretization is performed through the expansion of the angular neutron flux in spherical harmonics (PN method). The novelty of this solver is the use of non-conforming finite elements for the spatial discretization. Such elements lead to a discontinuous flux approximation. This interface continuity requirement relaxation property is shared with mixed-dual formulations such as the ones based on Raviart-Thomas finite elements. Encouraging numerical results are presented. (authors)
International Nuclear Information System (INIS)
Teixeira, Paulo Cleber Mendonca
2002-12-01
In this study, an analytical solution of the neutron transport equation in an annular reactor is presented with a short and rotating neutron source of the type S(x) δ (x- Vt), where V is the speed of annular pulsed reactor. The study is an extension of a previous study by Williams [12] carried out with a pulsed source of the type S(x) δ (t). In the new concept of annular pulsed reactor designed to produce continuous high flux, the core consists of a subcritical annular geometry pulsed by a rotating modulator, producing local super prompt critical condition, thereby giving origin to a rotating neutron pulse. An analytical solution is obtained by opening up of the annular geometry and applying one energy group transport theory in one dimension using applied mathematical techniques of Laplace transform and Complex Variables. The general solution for the flux consists of a fundamental mode, a finite number of harmonics and a transient integral. A condition which limits the number of harmonics depending upon the circumference of the annular geometry has been obtained. Inverse Laplace transform technique is used to analyse instability condition in annular reactor core. A regenerator parameter in conjunction with perimeter of the ring and nuclear properties is used to obtain stable and unstable harmonics and to verify if these exist. It is found that the solution does not present instability in the conditions stated in the new concept of annular pulsed reactor. (author)
Extended lattice Boltzmann scheme for droplet combustion.
Ashna, Mostafa; Rahimian, Mohammad Hassan; Fakhari, Abbas
2017-05-01
The available lattice Boltzmann (LB) models for combustion or phase change are focused on either single-phase flow combustion or two-phase flow with evaporation assuming a constant density for both liquid and gas phases. To pave the way towards simulation of spray combustion, we propose a two-phase LB method for modeling combustion of liquid fuel droplets. We develop an LB scheme to model phase change and combustion by taking into account the density variation in the gas phase and accounting for the chemical reaction based on the Cahn-Hilliard free-energy approach. Evaporation of liquid fuel is modeled by adding a source term, which is due to the divergence of the velocity field being nontrivial, in the continuity equation. The low-Mach-number approximation in the governing Navier-Stokes and energy equations is used to incorporate source terms due to heat release from chemical reactions, density variation, and nonluminous radiative heat loss. Additionally, the conservation equation for chemical species is formulated by including a source term due to chemical reaction. To validate the model, we consider the combustion of n-heptane and n-butanol droplets in stagnant air using overall single-step reactions. The diameter history and flame standoff ratio obtained from the proposed LB method are found to be in good agreement with available numerical and experimental data. The present LB scheme is believed to be a promising approach for modeling spray combustion.
Solution and study of nodal neutron transport equation applying the LTS{sub N}-DiagExp method
Energy Technology Data Exchange (ETDEWEB)
Hauser, Eliete Biasotto; Pazos, Ruben Panta [Pontificia Univ. Catolica do Rio Grande do Sul, Porto Alegre, RS (Brazil). Faculdade de Matematica]. E-mail: eliete@pucrs.br; rpp@mat.pucrs.br; Vilhena, Marco Tullio de [Pontificia Univ. Catolica do Rio Grande do Sul, Porto Alegre, RS (Brazil). Instituto de Matematica]. E-mail: vilhena@mat.ufrgs.br; Barros, Ricardo Carvalho de [Universidade do Estado, Nova Friburgo, RJ (Brazil). Instituto Politecnico]. E-mail: ricardo@iprj.uerj.br
2003-07-01
In this paper we report advances about the three-dimensional nodal discrete-ordinates approximations of neutron transport equation for Cartesian geometry. We use the combined collocation method of the angular variables and nodal approach for the spatial variables. By nodal approach we mean the iterated transverse integration of the S{sub N} equations. This procedure leads to the set of one-dimensional averages angular fluxes in each spatial variable. The resulting system of equations is solved with the LTS{sub N} method, first applying the Laplace transform to the set of the nodal S{sub N} equations and then obtained the solution by symbolic computation. We include the LTS{sub N} method by diagonalization to solve the nodal neutron transport equation and then we outline the convergence of these nodal-LTS{sub N} approximations with the help of a norm associated to the quadrature formula used to approximate the integral term of the neutron transport equation. (author)
Energy Technology Data Exchange (ETDEWEB)
Azmy, Yousry
2014-06-10
We employ the Integral Transport Matrix Method (ITMM) as the kernel of new parallel solution methods for the discrete ordinates approximation of the within-group neutron transport equation. The ITMM abandons the repetitive mesh sweeps of the traditional source iterations (SI) scheme in favor of constructing stored operators that account for the direct coupling factors among all the cells' fluxes and between the cells' and boundary surfaces' fluxes. The main goals of this work are to develop the algorithms that construct these operators and employ them in the solution process, determine the most suitable way to parallelize the entire procedure, and evaluate the behavior and parallel performance of the developed methods with increasing number of processes, P. The fastest observed parallel solution method, Parallel Gauss-Seidel (PGS), was used in a weak scaling comparison with the PARTISN transport code, which uses the source iteration (SI) scheme parallelized with the Koch-baker-Alcouffe (KBA) method. Compared to the state-of-the-art SI-KBA with diffusion synthetic acceleration (DSA), this new method- even without acceleration/preconditioning-is completitive for optically thick problems as P is increased to the tens of thousands range. For the most optically thick cells tested, PGS reduced execution time by an approximate factor of three for problems with more than 130 million computational cells on P = 32,768. Moreover, the SI-DSA execution times's trend rises generally more steeply with increasing P than the PGS trend. Furthermore, the PGS method outperforms SI for the periodic heterogeneous layers (PHL) configuration problems. The PGS method outperforms SI and SI-DSA on as few as P = 16 for PHL problems and reduces execution time by a factor of ten or more for all problems considered with more than 2 million computational cells on P = 4.096.
Radiation Transport Calculations and Simulations
Energy Technology Data Exchange (ETDEWEB)
Fasso, Alberto; /SLAC; Ferrari, A.; /CERN
2011-06-30
This article is an introduction to the Monte Carlo method as used in particle transport. After a description at an elementary level of the mathematical basis of the method, the Boltzmann equation and its physical meaning are presented, followed by Monte Carlo integration and random sampling, and by a general description of the main aspects and components of a typical Monte Carlo particle transport code. In particular, the most common biasing techniques are described, as well as the concepts of estimator and detector. After a discussion of the different types of errors, the issue of Quality Assurance is briefly considered.
Yu, Wei; Tian, Xiaolin; He, Xiaoliang; Song, Xiaojun; Xue, Liang; Liu, Cheng; Wang, Shouyu
2016-08-01
Microscopy based on transport of intensity equation provides quantitative phase distributions which opens another perspective for cellular observations. However, it requires multi-focal image capturing while mechanical and electrical scanning limits its real time capacity in sample detections. Here, in order to break through this restriction, real time quantitative phase microscopy based on single-shot transport of the intensity equation method is proposed. A programmed phase mask is designed to realize simultaneous multi-focal image recording without any scanning; thus, phase distributions can be quantitatively retrieved in real time. It is believed the proposed method can be potentially applied in various biological and medical applications, especially for live cell imaging.
Analytical Solution for Fractional Derivative Gas-Flow Equation in Porous Media
El-Amin, Mohamed
2017-07-06
In this paper, we introduce an analytical solution of the fractional derivative gas transport equation using the power-series technique. We present a new universal transform, namely, generalized Boltzmann change of variable which depends on the fractional order, time and space. This universal transform is employed to transfer the partial differential equation into an ordinary differential equation. Moreover, the convergence of the solution has been investigated and found that solutions are unconditionally converged. Results are introduced and discussed for the universal variable and other physical parameters such as porosity and permeability of the reservoir; time and space.
Simulating Electric Double Layer Capacitance by Using Lattice Boltzmann Method
Sun, Ning; Gersappe, Dilip
2015-03-01
By using the Lattice Boltzmann Method (LBM) we studied diffuse-charge dynamics in electrochemical systems. We use the LBM to solve Poisson-Nernst-Planck equations (PNP) and Modified Poisson-Nernst-Planck equations (MPNP). The isotropic permittivity of electrolyte is modeled using the Booth model. The results show that both steric effect (MPNP) and isotropic permittivity (Booth model) can have large influence on diffuse-charge dynamics, especially when electrolyte concentration or applied potential is high. This model can be applied to simulate electric double layer capacitance of super capacitors with complex geometry and also incorporate other effects such as heat convection in a modular manner.
Energy Technology Data Exchange (ETDEWEB)
Carella, Alfredo Raul
2012-09-15
Quantifying species transport rates is a main concern in chemical and petrochemical industries. In particular, the design and operation of many large-scale industrial chemical processes is as much dependent on diffusion as it is on reaction rates. However, the existing diffusion models sometimes fail to predict experimentally observed behaviors and their accuracy is usually insufficient for process optimization purposes. Fractional diffusion models offer multiple possibilities for generalizing Flick's law in a consistent manner in order to account for history dependence and nonlocal effects. These models have not been extensively applied to the study of real systems, mainly due to their computational cost and mathematical complexity. A least squares spectral formulation was developed for solving fractional differential equations. The proposed method was proven particularly well-suited for dealing with the numerical difficulties inherent to fractional differential operators. The practical implementation was explained in detail in order to enhance reproducibility, and directions were specified for extending it to multiple dimensions and arbitrarily shaped domains. A numerical framework based on the least-squares spectral element method was developed for studying and comparing anomalous diffusion models in pellets. This simulation tool is capable of solving arbitrary integro-differential equations and can be effortlessly adapted to various problems in any number of dimensions. Simulations of the flow around a cylindrical particle were achieved by extending the functionality of the developed framework. A test case was analyzed by coupling the boundary condition yielded by the fluid model with two families of anomalous diffusion models: hyperbolic diffusion and fractional diffusion. Qualitative guidelines for determining the suitability of diffusion models can be formulated by complementing experimental data with the results obtained from this approach.(Author)
An integrated Boltzmann+hydrodynamics approach to heavy ion collisions
Energy Technology Data Exchange (ETDEWEB)
Petersen, Hannah
2009-04-22
In this thesis the first fully integrated Boltzmann+hydrodynamics approach to relativistic heavy ion reactions has been developed. After a short introduction that motivates the study of heavy ion reactions as the tool to get insights about the QCD phase diagram, the most important theoretical approaches to describe the system are reviewed. The hadron-string transport approach that this work is based on is the Ultra-relativistic Quantum Molecular Dynamics (UrQMD) approach. Predictions for the charged particle multiplicities at LHC energies are made. The next step is the development of a new framework to calculate the baryon number density in a transport approach. Time evolutions of the net baryon number and the quark density have been calculated at AGS, SPS and RHIC energies. Studies of phase diagram trajectories using hydrodynamics are performed. The hybrid approach that has been developed as the main part of this thesis is based on the UrQMD transport approach with an intermediate hydrodynamical evolution for the hot and dense stage of the collision. The full (3+1) dimensional ideal relativistic one fluid dynamics evolution is solved using the SHASTA algorithm. Three different equations of state have been used, namely a hadron gas equation of state without a QGP phase transition, a chiral EoS and a bag model EoS including a strong first order phase transition. For the freeze-out transition from hydrodynamics to the cascade calculation two different set-ups are employed. The parameter dependences of the model are investigated and the time evolution of different quantities is explored. The hybrid model calculation is able to reproduce the experimentally measured integrated as well as transverse momentum dependent v{sub 2} values for charged particles. The multiplicity and mean transverse mass excitation function is calculated for pions, protons and kaons in the energy range from E{sub lab}=2-160 A GeV. The HBT correlation of the negatively charged pion source
Analysis and development of spatial hp-refinement methods for solving the neutron transport equation
International Nuclear Information System (INIS)
Fournier, D.
2011-01-01
The different neutronic parameters have to be calculated with a higher accuracy in order to design the 4. generation reactor cores. As memory storage and computation time are limited, adaptive methods are a solution to solve the neutron transport equation. The neutronic flux, solution of this equation, depends on the energy, angle and space. The different variables are successively discretized. The energy with a multigroup approach, considering the different quantities to be constant on each group, the angle by a collocation method called SN approximation. Once the energy and angle variable are discretized, a system of spatially-dependent hyperbolic equations has to be solved. Discontinuous finite elements are used to make possible the development of hp-refinement methods. Thus, the accuracy of the solution can be improved by spatial refinement (h-refinement), consisting into subdividing a cell into sub-cells, or by order refinement (p-refinement), by increasing the order of the polynomial basis. In this thesis, the properties of this methods are analyzed showing the importance of the regularity of the solution to choose the type of refinement. Thus, two error estimators are used to lead the refinement process. Whereas the first one requires high regularity hypothesis (analytical solution), the second one supposes only the minimal hypothesis required for the solution to exist. The comparison of both estimators is done on benchmarks where the analytic solution is known by the method of manufactured solutions. Thus, the behaviour of the solution as a regard of the regularity can be studied. It leads to a hp-refinement method using the two estimators. Then, a comparison is done with other existing methods on simplified but also realistic benchmarks coming from nuclear cores. These adaptive methods considerably reduces the computational cost and memory footprint. To further improve these two points, an approach with energy-dependent meshes is proposed. Actually, as the
A transport-based condensed history algorithm
International Nuclear Information System (INIS)
Tolar, D. R. Jr.
1999-01-01
Condensed history algorithms are approximate electron transport Monte Carlo methods in which the cumulative effects of multiple collisions are modeled in a single step of (user-specified) path length s 0 . This path length is the distance each Monte Carlo electron travels between collisions. Current condensed history techniques utilize a splitting routine over the range 0 le s le s 0 . For example, the PEnELOPE method splits each step into two substeps; one with length ξs 0 and one with length (1 minusξ)s 0 , where ξ is a random number from 0 0 is fixed (not sampled from an exponential distribution), conventional condensed history schemes are not transport processes. Here the authors describe a new condensed history algorithm that is a transport process. The method simulates a transport equation that approximates the exact Boltzmann equation. The new transport equation has a larger mean free path than, and preserves two angular moments of, the Boltzmann equation. Thus, the new process is solved more efficiently by Monte Carlo, and it conserves both particles and scattering power
Energy Technology Data Exchange (ETDEWEB)
Baker, Randal Scott [Univ. of Arizona, Tucson, AZ (United States)
1990-01-01
The neutron transport equation is solved by a hybrid method that iteratively couples regions where deterministic (S_{N}) and stochastic (Monte Carlo) methods are applied. Unlike previous hybrid methods, the Monte Carlo and S_{N} regions are fully coupled in the sense that no assumption is made about geometrical separation or decoupling. The hybrid method provides a new means of solving problems involving both optically thick and optically thin regions that neither Monte Carlo nor S_{N} is well suited for by themselves. The fully coupled Monte Carlo/S_{N} technique consists of defining spatial and/or energy regions of a problem in which either a Monte Carlo calculation or an S_{N} calculation is to be performed. The Monte Carlo region may comprise the entire spatial region for selected energy groups, or may consist of a rectangular area that is either completely or partially embedded in an arbitrary S_{N} region. The Monte Carlo and S_{N} regions are then connected through the common angular boundary fluxes, which are determined iteratively using the response matrix technique, and volumetric sources. The hybrid method has been implemented in the S_{N} code TWODANT by adding special-purpose Monte Carlo subroutines to calculate the response matrices and volumetric sources, and linkage subrountines to carry out the interface flux iterations. The common angular boundary fluxes are included in the S_{N} code as interior boundary sources, leaving the logic for the solution of the transport flux unchanged, while, with minor modifications, the diffusion synthetic accelerator remains effective in accelerating S_{N} calculations. The special-purpose Monte Carlo routines used are essentially analog, with few variance reduction techniques employed. However, the routines have been successfully vectorized, with approximately a factor of five increase in speed over the non-vectorized version.
International Nuclear Information System (INIS)
Valdes Parra, J.J.
1986-01-01
One of the main problems in reactor physics is to determine the neutron distribution in reactor core, since knowing that, it is possible to calculate the rapidity of occurrence of different nuclear reaction inside the reactor core. Within different theories existing in nuclear reactor physics, is neutron transport the one in which equation who govern the exact behavior of neutronic distribution are developed even inside the proper neutron transport theory, there exist different methods of solution which are approximations to exact solution; still more, with the purpose to reach a more precise solution, the majority of methods have been approached to the obtention of solutions in numerical form with the aim of take the advantages of modern computers, and for this reason a great deal of effort is dedicated to numerical solution of the equations of neutron transport. In agreement with the above mentioned, in this work has been developed a computer program which uses a relatively new techniques known as 'acceleration of synthetic diffusion' which has been applied to solve the neutron transport equation with 'classical schemes of spatial integration' obtaining results with a smaller quantity of interactions, if they compare to done without using such equation (Author)
International Nuclear Information System (INIS)
Pirouzmand, Ahmad; Hadad, Kamal
2012-01-01
Highlights: ► This paper describes the solution of time-dependent neutron transport equation. ► We use a novel method based on cellular neural networks (CNNs) coupled with the spherical harmonics method. ► We apply the CNN model to simulate step and ramp perturbation transients in a core. ► The accuracy and capabilities of the CNN model are examined for x–y geometry. - Abstract: In an earlier paper we utilized a novel method using cellular neural networks (CNNs) coupled with spherical harmonics method to solve the steady state neutron transport equation in x–y geometry. Here, the previous work is extended to the study of time-dependent neutron transport equation. To achieve this goal, an equivalent electrical circuit based on a second-order form of time-dependent neutron transport equation and one equivalent group of neutron precursor density is obtained by the CNN method. The CNN model is used to simulate step and ramp perturbation transients in a typical 2D core.
A least-squares finite-element Sn method for solving first-order neutron transport equation
International Nuclear Information System (INIS)
Ju Haitao; Wu Hongchun; Zhou Yongqiang; Cao Liangzhi; Yao Dong; Xian, Chun-Yu
2007-01-01
A discrete ordinates finite-element method for solving the two-dimensional first-order neutron transport equation is derived using the least-squares variation. It avoids the singularity in void regions of the method derived from the second-order equation which contains the inversion of the cross-section. Different from using the standard Galerkin variation to the first-order equation, the least-squares variation results in a symmetric matrix, which can be solved easily and effectively. To eliminate the discontinuity of the angular flux on the vacuum boundary in the spherical harmonics method, the angle variable is discretized by the discrete ordinates method. A two-dimensional transport simulation code is developed and applied to some benchmark problems with unstructured geometry. The numerical results verified the validity of this method
Energy Technology Data Exchange (ETDEWEB)
Shadid, J.N.; Tuminaro, R.S. [Sandia National Labs., Albuquerque, NM (United States); Walker, H.F. [Utah State Univ., Logan, UT (United States). Dept. of Mathematics and Statistics
1997-02-01
The solution of the governing steady transport equations for momentum, heat and mass transfer in flowing fluids can be very difficult. These difficulties arise from the nonlinear, coupled, nonsymmetric nature of the system of algebraic equations that results from spatial discretization of the PDEs. In this manuscript the authors focus on evaluating a proposed nonlinear solution method based on an inexact Newton method with backtracking. In this context they use a particular spatial discretization based on a pressure stabilized Petrov-Galerkin finite element formulation of the low Mach number Navier-Stokes equations with heat and mass transport. The discussion considers computational efficiency, robustness and some implementation issues related to the proposed nonlinear solution scheme. Computational results are presented for several challenging CFD benchmark problems as well as two large scale 3D flow simulations.
International Nuclear Information System (INIS)
Patra, A.; Saha Ray, S.
2014-01-01
Highlights: • A stationary transport equation has been solved using the technique of Haar wavelet Collocation Method. • This paper intends to provide the great utility of Haar wavelets to nuclear science problem. • In the present paper, two-dimensional Haar wavelets are applied. • The proposed method is mathematically very simple, easy and fast. - Abstract: This paper emphasizes on finding the solution for a stationary transport equation using the technique of Haar wavelet Collocation Method (HWCM). Haar wavelet Collocation Method is efficient and powerful in solving wide class of linear and nonlinear differential equations. Recently Haar wavelet transform has gained the reputation of being a very effective tool for many practical applications. This paper intends to provide the great utility of Haar wavelets to nuclear science problem. In the present paper, two-dimensional Haar wavelets are applied for solution of the stationary Neutron Transport Equation in homogeneous isotropic medium. The proposed method is mathematically very simple, easy and fast. To demonstrate about the efficiency of the method, one test problem is discussed. It can be observed from the computational simulation that the numerical approximate solution is much closer to the exact solution
Boltzmann factor and Hawking radiation
International Nuclear Information System (INIS)
Ryskin, Gregory
2014-01-01
Hawking radiation has thermal spectrum corresponding to the temperature T H =(8πM) −1 , where M is the mass (energy) of the black hole. Corrections to the Hawking radiation spectrum were discovered by Kraus and Wilczek (1995) and Parikh and Wilczek (2000). Here I show that these corrections follow directly from the basic principles of thermodynamics and statistical mechanics. In essence, it is the Boltzmann factor that ought to be corrected; corrections to the Hawking (or any other) radiation spectrum then follow necessarily
Return of the Boltzmann brains
Page, Don N.
2008-09-01
Linde in J. Cosmol. Astropart. Phys.1475-7516 01 (2007) 02210.1088/1475-7516/2007/01/022 shows that some (though not all) versions of the global (volume-weighted) description avoid the “Boltzmann brain” problem raised by Page [Phys. Rev. D 78, 063535 (2008)] if the universe does not have a decay time less than 20 Gyr. Here I give an apparently natural version of the volume-weighted description in which the problem persists, highlighting the ambiguity of taking the ratios of infinite volumes that appear to arise from eternal inflation.
Boţan, Vitalie; Ustach, Vincent D; Leonhard, Kai; Faller, Roland
2017-11-16
The polymer poly(N-isopropylacrylamide) (PNIPAM) is studied using a novel combination of multiscale modeling methodologies. We develop an iterative Boltzmann inversion potential of concentrated PNIPAM solutions and combine it with lattice Boltzmann as a Navier-Stokes equation solver for the solvent. We study in detail the influence of the methodology on statics and dynamics of the system. The combination is successful and significantly simpler and faster than other mapping techniques for polymer solution while keeping the correct hydrodynamics. The model can semiquantitatively describe the correct phase behavior and polymer dynamics.
International Nuclear Information System (INIS)
Bendib, A.; Bennaceur-Doumaz, D.; El Lemdani, F.
2002-01-01
A new numerical approach to solve the linear integrodifferential Fokker-Planck equation (FPE), which describes a collisional and magnetized plasma, is presented. For this purpose, the FPE is reduced to a simple set of ordinary differential equations, which can be easily solved, with the use of standard numerical methods. The transport coefficients induced by the first anisotropic distribution function computed by Braginskii [Reviews of Plasma Physics (Consultants Bureau, New York, 1965), Vol. 1] and improved by Epperlein and Haines [Phys. Fluids 29, 1029 (1986)], have been recovered. The viscosity coefficients are computed for arbitrary atomic numbers and arbitrary magnetic field strength and are compared to the results reported in the literature
Li, Jiaji; Chen, Qian; Zhang, Jialin; Zhang, Zhao; Zhang, Yan; Zuo, Chao
2017-08-01
Optical diffraction tomography (ODT) is an effective label-free technique for quantitatively refractive index imaging, which enables long-term monitoring of the internal three-dimensional (3D) structures and molecular composition of biological cells with minimal perturbation. However, existing optical tomographic methods generally rely on interferometric configuration for phase measurement and sophisticated mechanical systems for sample rotation or beam scanning. Thereby, the measurement is suspect to phase error coming from the coherent speckle, environmental vibrations, and mechanical error during data acquisition process. To overcome these limitations, we present a new ODT technique based on non-interferometric phase retrieval and programmable illumination emitting from a light-emitting diode (LED) array. The experimental system is built based on a traditional bright field microscope, with the light source replaced by a programmable LED array, which provides angle-variable quasi-monochromatic illumination with an angular coverage of ±37 degrees in both x and y directions (corresponding to an illumination numerical aperture of ∼0.6). Transport of intensity equation (TIE) is utilized to recover the phase at different illumination angles, and the refractive index distribution is reconstructed based on the ODT framework under first Rytov approximation. The missing-cone problem in ODT is addressed by using the iterative non-negative constraint algorithm, and the misalignment of the LED array is further numerically corrected to improve the accuracy of refractive index quantification. Experiments on polystyrene beads and thick biological specimens show that the proposed approach allows accurate refractive index reconstruction while greatly reduced the system complexity and environmental sensitivity compared to conventional interferometric ODT approaches.
Li, Jiaji; Chen, Qian; Zhang, Jialin; Zuo, Chao
2017-10-01
Optical diffraction tomography (ODT) is an effective label-free technique for quantitatively refractive index imaging, which enables long-term monitoring of the internal three-dimensional (3D) structures and molecular composition of biological cells with minimal perturbation. However, existing optical tomographic methods generally rely on interferometric configuration for phase measurement and sophisticated mechanical systems for sample rotation or beam scanning. Thereby, the measurement is suspect to phase error coming from the coherent speckle, environmental vibrations, and mechanical error during data acquisition process. To overcome these limitations, we present a new ODT technique based on non-interferometric phase retrieval and programmable illumination emitting from a light-emitting diode (LED) array. The experimental system is built based on a traditional bright field microscope, with the light source replaced by a programmable LED array, which provides angle-variable quasi-monochromatic illumination with an angular coverage of +/-37 degrees in both x and y directions (corresponding to an illumination numerical aperture of ˜ 0.6). Transport of intensity equation (TIE) is utilized to recover the phase at different illumination angles, and the refractive index distribution is reconstructed based on the ODT framework under first Rytov approximation. The missing-cone problem in ODT is addressed by using the iterative non-negative constraint algorithm, and the misalignment of the LED array is further numerically corrected to improve the accuracy of refractive index quantification. Experiments on polystyrene beads and thick biological specimens show that the proposed approach allows accurate refractive index reconstruction while greatly reduced the system complexity and environmental sensitivity compared to conventional interferometric ODT approaches.
Fractional diffusion equation for heterogeneous medium
Energy Technology Data Exchange (ETDEWEB)
Polo L, M. A.; Espinosa M, E. G.; Espinosa P, G. [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Area de Ingenieria en Recursos Energeticos, Av, San Rafael Atlixco 186, Col. Vicentina, 09340 Mexico D. F. (Mexico); Del Valle G, E., E-mail: plabarrios@hotmail.com [Instituto Politecnico Nacional, Escuela Superior de Fisica y Matematicas, Av. IPN s/n, Col. San Pedro Zacatenco, 07738 Mexico D. F. (Mexico)
2011-11-15
The asymptotic diffusion approximation for the Boltzmann (transport) equation was developed in 1950 decade in order to describe the diffusion of a particle in an isotropic medium, considers that the particles have a diffusion infinite velocity. In this work is developed a new approximation where is considered that the particles have a finite velocity, with this model is possible to describe the behavior in an anomalous medium. According with these ideas the model was obtained from the Fick law, where is considered that the temporal term of the current vector is not negligible. As a result the diffusion equation of fractional order which describes the dispersion of particles in a highly heterogeneous or disturbed medium is obtained, i.e., in a general medium. (Author)
Derivation of stable Burnett equations for rarefied gas flows.
Singh, Narendra; Jadhav, Ravi Sudam; Agrawal, Amit
2017-07-01
A set of constitutive relations for the stress tensor and heat flux vector for the hydrodynamic description of rarefied gas flows is derived in this work. A phase density function consistent with Onsager's reciprocity principle and H theorem is utilized to capture nonequilibrium thermodynamics effects. The phase density function satisfies the linearized Boltzmann equation and the collision invariance property. Our formulation provides the correct value of the Prandtl number as it involves two different relaxation times for momentum and energy transport by diffusion. Generalized three-dimensional constitutive equations for different kinds of molecules are derived using the phase density function. The derived constitutive equations involve cross single derivatives of field variables such as temperature and velocity, with no higher-order derivative in higher-order terms. This is remarkable feature of the equations as the number of boundary conditions required is the same as needed for conventional Navier-Stokes equations. Linear stability analysis of the equations is performed, which shows that the derived equations are unconditionally stable. A comparison of the derived equations with existing Burnett-type equations is presented and salient features of our equations are outlined. The classic internal flow problem, force-driven compressible plane Poiseuille flow, is chosen to verify the stable Burnett equations and the results for equilibrium variables are presented.
Lattice Boltzmann scheme for relativistic fluids
Mendoza, M.; Boghosian, B.; Herrmann, H. J.; Succi, S.
2009-01-01
A Lattice Boltzmann formulation for relativistic fluids is presented and numerically verified through quantitative comparison with recent hydrodynamic simulations of relativistic shock-wave propagation in viscous quark-gluon plasmas. This formulation opens up the possibility of exporting the main advantages of Lattice Boltzmann methods to the relativistic context, which seems particularly useful for the simulation of relativistic fluids in complicated geometries.
Pruning Boltzmann networks and hidden Markov models
DEFF Research Database (Denmark)
Pedersen, Morten With; Stork, D.
1996-01-01
Boltzmann chains and hidden Markov models (HMMs), we argue that our method can be applied to HMMs as well. We illustrate pruning on Boltzmann zippers, which are equivalent to two HMMs with cross-connection links. We verify that our second-order approximation preserves the rank ordering of weight saliencies...
National Research Council Canada - National Science Library
Burt, Jonathan M; Boyd, Iain D
2006-01-01
...) model of the Boltzmann equation. The method includes consideration of rotational nonequilibrium, and enforces exact momentum and energy conservation for a mixture involving monatomic and diatomic species...
National Research Council Canada - National Science Library
Burt, Jonathan M; Boyd, Iain D
2006-01-01
...) model of the Boltzmann equation. The method includes consideration of rotational nonequilibrium, and enforces exact momentum and energy conservation for a mixture involving monatomic and diatomic species...
Boltzmann, Einstein, Natural Law and Evolution
International Nuclear Information System (INIS)
Broda, E.
1980-01-01
Like Boltzmann, Einstein was a protagonist of atomistics. As a physicist, he has been called Boltzmann's true successor. Also in epistemology, after overcoming the positivist influence of Mach, Einstein approached Boltzmann. Any difference between Boltzmann's realism, or even materialism, and Einstein's pantheism may be merely a matter of emphasis. Yet a real difference exists in another respect. Boltzmann explained man's power of thinking and feeling, his morality and his esthetic sense, on an evolutionary, Darwinian, basis. In contrast, evolution had no role in Einstein's thought, though Darwin was accepted by him. This lack of appreciation of the importance of evolution is now attributed to socio-political factors. (author)
An immersed boundary-lattice Boltzmann model for biofilm growth in porous media
Benioug, M.; Golfier, F.; Oltéan, C.; Buès, M. A.; Bahar, T.; Cuny, J.
2017-09-01
In this paper, we present a two-dimensional pore-scale numerical model to investigate the main mechanisms governing biofilm growth in porous media. The fluid flow and solute transport equations are coupled with a biofilm evolution model. Fluid flow is simulated with an immersed boundary-lattice Boltzmann model while solute transport is described with a volume-of-fluid-type approach. A cellular automaton algorithm combined with immersed boundary methods was developed to describe the spreading and distribution of biomass. Bacterial attachment and detachment mechanisms are also taken into account. The capability of this model to describe correctly the couplings involved between fluid circulation, nutrient transport and bacterial growth is tested under different hydrostatic and hydrodynamic conditions (i) on a flat medium and (ii) for a complex porous medium. For the second case, different regimes of biofilm growth are identified and are found to be related to the dimensionless parameters of the model, Damköhler and Péclet numbers and dimensionless shear stress. Finally, the impact of biofilm growth on the macroscopic properties of the porous medium is investigated and we discuss the unicity of the relationships between hydraulic conductivity and biofilm volume fraction.
A domian Decomposition Method for Transient Neutron Transport with Pomrning-Eddington Approximation
International Nuclear Information System (INIS)
Hendi, A.A.; Abulwafa, E.E.
2008-01-01
The time-dependent neutron transport problem is approximated using the Pomraning-Eddington approximation. This approximation is two-flux approximation that expands the angular intensity in terms of the energy density and the net flux. This approximation converts the integro-differential Boltzmann equation into two first order differential equations. The A domian decomposition method that used to solve the linear or nonlinear differential equations is used to solve the resultant two differential equations to find the neutron energy density and net flux, which can be used to calculate the neutron angular intensity through the Pomraning-Eddington approximation
Energy Technology Data Exchange (ETDEWEB)
Clouet, J.F.; Samba, G. [CEA Bruyeres-le-Chatel, 91 (France)
2005-07-01
We use asymptotic analysis to study the diffusion limit of the Symbolic Implicit Monte-Carlo (SIMC) method for the transport equation. For standard SIMC with piecewise constant basis functions, we demonstrate mathematically that the solution converges to the solution of a wrong diffusion equation. Nevertheless a simple extension to piecewise linear basis functions enables to obtain the correct solution. This improvement allows the calculation in opaque medium on a mesh resolving the diffusion scale much larger than the transport scale. Anyway, the huge number of particles which is necessary to get a correct answer makes this computation time consuming. Thus, we have derived from this asymptotic study an hybrid method coupling deterministic calculation in the opaque medium and Monte-Carlo calculation in the transparent medium. This method gives exactly the same results as the previous one but at a much lower price. We present numerical examples which illustrate the analysis. (authors)
International Nuclear Information System (INIS)
Pontedeiro, E.M.B.D.; Maiorino, J.R.
1982-01-01
The linear equation transport, monoenergetic, with anysotropic scattering, in multiregions, by F sub(N) method, is resolved. The mathematical analysis used for this method consists in to use parcially the expansion method in singular autofunctions, or Case's method, aiming to derive a set of integral equations coupled to the angular distribution in the boundaries and interfaces, and then to approximate these distributions by polynomics of N order, aiming to derive, with the use of these boundary and continuity conditions in the interfaces, a set of algebric equations for the coef. of polynomical approximation. With the goal to obtain numerical results, a computer code (FNAM-1) with options for the number of regions, boundary conditions, F sub(N) approx order, were developed. Numerical results were then obtained for various sample problems and compared with the results published in the literature with the objective to demonstrate the precision and applicability of the F sub(N) method. (E.G.) [pt
Elliptic equation for random walks. Application to transport in microporous media
DEFF Research Database (Denmark)
Shapiro, Alexander
2007-01-01
We consider a process of random walks with arbitrary residence time distribution. We show that in many cases this process may not be described by the classical (Fick) parabolic diffusion equation, but an elliptic equation. An additional term proportional to the second time derivative takes...... into account the distribution of the residence times of molecules ill pores. The new elliptic diffusion equation is strictly derived by the operator approach. A criterion showing where the new equation should be applied instead of the standard diffusion equation is obtained. Boundary conditions are studied...... and a principle for selection of a unique bounded solution is formulated. Fundamental solutions are obtained and compared with the results of direct simulation of the random walks. (c) 2006 Elsevier B.V. All rights reserved....
International Nuclear Information System (INIS)
Fenstermacher, T.E.
1981-01-01
The solution of the neutron transport equation has long been a subject of intense interest to nuclear engineers. Present computer codes for the solution of this equation, however, are expensive to run for large, multidimensional problems, and also suffer from computational problems such as the ray effect. A method has been developed which eliminates many of these problems. It consists of transforming the transport equation into a set of linear partial differential equations by the use of spherical harmonics. The problem volume is divided into mesh boxes, and the flux components are approximated within each mesh box by spatially orthogonal quadratic polynomials, which need not be continuous at mesh box interfaces. A variational principle is developed, and used to solve for the unknown coefficients of these polynomials. Both one dimensional and two dimensional computer codes using this method have been written. The codes have each been tested on several test cases, and the solutions checked against solutions obtained by other methods. While the codes have some difficulty in modeling sharp transients, they produce excellent results on problems where the characteristic lengths are many mean free paths. On one test case, the two dimensional code, SHOP/2D, required only one-fourth the computer time required by the finite difference, discrete ordinates code TWOTRAN to produce a solution. In addition, SHOP/2D converged much better than TWOTRAN and produced more physical-appearing results
International Nuclear Information System (INIS)
Hadad, Kamal; Pirouzmand, Ahmad; Ayoobian, Navid
2008-01-01
This paper describes the application of a multilayer cellular neural network (CNN) to model and solve the time dependent one-speed neutron transport equation in slab geometry. We use a neutron angular flux in terms of the Chebyshev polynomials (T N ) of the first kind and then we attempt to implement the equations in an equivalent electrical circuit. We apply this equivalent circuit to analyze the T N moments equation in a uniform finite slab using Marshak type vacuum boundary condition. The validity of the CNN results is evaluated with numerical solution of the steady state T N moments equations by MATLAB. Steady state, as well as transient simulations, shows a very good comparison between the two methods. We used our CNN model to simulate space-time response of total flux and its moments for various c (where c is the mean number of secondary neutrons per collision). The complete algorithm could be implemented using very large-scale integrated circuit (VLSI) circuitry. The efficiency of the calculation method makes it useful for neutron transport calculations
Directory of Open Access Journals (Sweden)
Marta Galanti
2016-08-01
Full Text Available Describing particle transport at the macroscopic or mesoscopic level in non-ideal environments poses fundamental theoretical challenges in domains ranging from inter and intra-cellular transport in biology to diffusion in porous media. Yet, often the nature of the constraints coming from many-body interactions or reflecting a complex and confining environment are better understood and modeled at the microscopic level.In this paper we review the subtle link between microscopic exclusion processes and the mean-field equations that ensue from them in the continuum limit. We show that in an inhomogeneous medium, i.e. when jumps are controlled by site-dependent hopping rates, one can obtain three different nonlinear advection-diffusion equations in the continuum limit, suitable for describing transport in the presence of quenched disorder and external fields, depending on the particular rule embodying site inequivalence at the microscopic level. In a situation that might be termed point-like scenario, when particles are treated as point-like objects, the effect of crowding as imposed at the microscopic level manifests in the mean-field equations only if some degree of inhomogeneity is enforced into the model. Conversely, when interacting agents are assigned a finite size, under the more realistic extended crowding framework, exclusion constraints persist in the unbiased macroscopic representation.
Galanti, Marta; Fanelli, Duccio; Piazza, Francesco
2016-08-01
Describing particle transport at the macroscopic or mesoscopic level in non-ideal environments poses fundamental theoretical challenges in domains ranging from inter and intra-cellular transport in biology to diffusion in porous media. Yet, often the nature of the constraints coming from many-body interactions or reflecting a complex and confining environment are better understood and modeled at the microscopic level. In this paper we review the subtle link between microscopic exclusion processes and the mean-field equations that ensue from them in the continuum limit. We show that in an inhomogeneous medium, i.e. when jumps are controlled by site-dependent hopping rates, one can obtain three different nonlinear advection-diffusion equations in the continuum limit, suitable for describing transport in the presence of quenched disorder and external fields, depending on the particular rule embodying site inequivalence at the microscopic level. In a situation that might be termed point-like scenario, when particles are treated as point-like objects, the effect of crowding as imposed at the microscopic level manifests in the mean-field equations only if some degree of inhomogeneity is enforced into the model. Conversely, when interacting agents are assigned a finite size, under the more realistic extended crowding framework, exclusion constraints persist in the unbiased macroscopic representation.
Neutron stochastic transport theory with delayed neutrons
International Nuclear Information System (INIS)
Munoz-Cobo, J.L.; Verdu, G.
1987-01-01
From the stochastic transport theory with delayed neutrons, the Boltzmann transport equation with delayed neutrons for the average flux emerges in a natural way without recourse to any approximation. From this theory a general expression is obtained for the Feynman Y-function when delayed neutrons are included. The single mode approximation for the particular case of a subcritical assembly is developed, and it is shown that Y-function reduces to the familiar expression quoted in many books, when delayed neutrons are not considered, and spatial and source effects are not included. (author)
International Nuclear Information System (INIS)
Thompson, K.G.
2000-01-01
In this work, we develop a new spatial discretization scheme that may be used to numerically solve the neutron transport equation. This new discretization extends the family of corner balance spatial discretizations to include spatial grids of arbitrary polyhedra. This scheme enforces balance on subcell volumes called corners. It produces a lower triangular matrix for sweeping, is algebraically linear, is non-negative in a source-free absorber, and produces a robust and accurate solution in thick diffusive regions. Using an asymptotic analysis, we design the scheme so that in thick diffusive regions it will attain the same solution as an accurate polyhedral diffusion discretization. We then refine the approximations in the scheme to reduce numerical diffusion in vacuums, and we attempt to capture a second order truncation error. After we develop this Upstream Corner Balance Linear (UCBL) discretization we analyze its characteristics in several limits. We complete a full diffusion limit analysis showing that we capture the desired diffusion discretization in optically thick and highly scattering media. We review the upstream and linear properties of our discretization and then demonstrate that our scheme captures strictly non-negative solutions in source-free purely absorbing media. We then demonstrate the minimization of numerical diffusion of a beam and then demonstrate that the scheme is, in general, first order accurate. We also note that for slab-like problems our method actually behaves like a second-order method over a range of cell thicknesses that are of practical interest. We also discuss why our scheme is first order accurate for truly 3D problems and suggest changes in the algorithm that should make it a second-order accurate scheme. Finally, we demonstrate 3D UCBL's performance on several very different test problems. We show good performance in diffusive and streaming problems. We analyze truncation error in a 3D problem and demonstrate robustness in a
Directory of Open Access Journals (Sweden)
E. E. De Figueiredo
2015-03-01
Full Text Available In the semi arid Cariri region of the state of Paraiba, Brazil, runoff is of the Hortonian type generated by excess of rainfall over infiltration capacity, and soil erosion is governed by rainfall intensity and sediment size. However, the governing sediment transport mechanism is not well understood. Sediment transport generally depends on the load of sediment provided by soil erosion and on the transport capacity of the flow. The latter is mainly governed by mechanisms such as water shear stress, or stream power. Accordingly, the load of sediment transported by the flow may vary depending on the mechanism involved in the equation of estimation. Investigation of the sediment transport capacity of the flow via a distributed physically-based model is an important and necessary task, but quite rare in semi-arid climates, and particularly in the Cariri region of the state of Paraíba/Brazil. In this study, the equations of Yalin, Engelund & Hansen, Laursen, DuBoys and Bagnold have been coupled with the MOSEE distributed physically based model aiming at identifying the mechanisms leading to the best model simulations when compared with data observed at various basin scales and land uses in the study region. The results obtained with the investigated methods were quite similar and satisfactory suggesting the feasibility of the mechanisms involved, but the observed values were better represented with Bagnold’s equation, which is physically grounded on the stream power, and we recommend it for simulations of similar climate, runoff generation mechanisms and sediment characteristics as in the study region.
International Nuclear Information System (INIS)
Fernandes, A.
1991-01-01
A method to solve three dimensional neutron transport equation and it is based on the original work suggested by J.K. Fletcher (42, 43). The angular dependence of the flux is approximated by associated Legendre functions and the finite element method is applied to the space components is presented. When the angular flux, the scattering cross section and the neutrons source are expanded in associated Legendre functions, the first order neutron transport equation is reduced to a coupled set of second order diffusion like equations. These equations are solved in an iterative way by the finite element method to the moments. (author)
Ludwig Boltzmann - The Man and His Work
International Nuclear Information System (INIS)
Broda, E.
1982-01-01
It is argued that Ludwig Boltzmann was, along with Newton and Maxwell, one of the three greatest theoretical physicists of classical times. It is less generally known that he was also a powerful realist-materialist philosopher and a keen opponent of Ernst Mach's positivism and of the philosophical idealism of Berkeley, Hegel and Schopenhauer. Boltzmann was also opposed to Kant. Moreover, he had a lively interest in biology and especially in Darwinian evolution, and he should be taken as one of the founders of biophysics. Boltzmann discussed the origin of life and of the mind. Finally, he also was a most vigorous, colourful and attractive person. (author)
Zhang, Pei; Galindo Torres, Sergio; Tang, Hongwu; Scheuermann, Alexander; Jin, Guangqiu; Li, Ling
2017-04-01
A pore-scale numerical model is introduced to simulate the desorption process at surface water-groundwater interface. The Navier-Stokes equations for fluid and Advection-Diffusion equation for scalar transport are solved by Lattice Boltzmann Method (LBM). In previous studies, the macroscopic desorption kinetic equations are usually applied as a boundary condition. However, it may be problematic for pore-scale simulation since most desorption kinetic equations are fitted from macroscopic global variables. We avoid this problem by discretizing the particle surface into a large number of adsorption sites to mimic the microscopic desorption process. The state of each adsorption site follows the Langmuir's theory. Furthermore, benefiting from the mesoscopic inherent of the LBM, the total number of adsorbate which really contacted with the particle surface can be calculated rather than the local concentration. The predicted desorption Isotherm and concentration profile match well with theoretical solutions and experimental data. By using presented model, we find that the desorption process at surface water-groundwater interface shows a complex response to surface water flow.
Suzen, Y. B.; Huang, P. G.; Hultgren, Lennart S.; Ashpis, David E.
2003-01-01
A new transport equation for the intermittency factor was proposed to predict separated and transitional boundary layers under low-pressure turbine airfoil conditions. The intermittent behavior of the transitional flows is taken into account and incorporated into computations by modifying the eddy viscosity, t , with the intermittency factor, y. Turbulent quantities are predicted by using Menter s two-equation turbulence model (SST). The intermittency factor is obtained from a transport equation model, which not only can reproduce the experimentally observed streamwise variation of the intermittency in the transition zone, but also can provide a realistic cross-stream variation of the intermittency profile. In this paper, the intermittency model is used to predict a recent separated and transitional boundary layer experiment under low pressure turbine airfoil conditions. The experiment provides detailed measurements of velocity, turbulent kinetic energy and intermittency profiles for a number of Reynolds numbers and freestream turbulent intensity conditions and is suitable for validation purposes. Detailed comparisons of computational results with experimental data are presented and good agreements between the experiments and predictions are obtained.
Energy Technology Data Exchange (ETDEWEB)
Cartier, J
2006-04-15
This thesis focuses on mathematical analysis, numerical resolution and modelling of the transport equations. First of all, we deal with numerical approximation of the solution of the transport equations by using a mixed-hybrid scheme. We derive and study a mixed formulation of the transport equation, then we analyse the related variational problem and present the discretization and the main properties of the scheme. We particularly pay attention to the behavior of the scheme and we show its efficiency in the diffusion limit (when the mean free path is small in comparison with the characteristic length of the physical domain). We present academical benchmarks in order to compare our scheme with other methods in many physical configurations and validate our method on analytical test cases. Unstructured and very distorted meshes are used to validate our scheme. The second part of this thesis deals with two transport problems. The first one is devoted to the study of diffusion due to boundary conditions in a transport problem between two plane plates. The second one consists in modelling and simulating radiative transfer phenomenon in case of the industrial context of inertial confinement fusion. (author)
Shumilin, A. V.; Kabanov, V. V.; Dediu, V. I.
2018-03-01
We derive kinetic equations for polaron hopping in organic materials that explicitly take into account the double occupation possibility and pair intersite correlations. The equations include simplified phenomenological spin dynamics and provide a self-consistent framework for the description of the bipolaron mechanism of the organic magnetoresistance. At low applied voltages, the equations can be reduced to those for an effective resistor network that generalizes the Miller-Abrahams network and includes the effect of spin relaxation on the system resistivity. Our theory discloses the close relationship between the organic magnetoresistance and the intersite correlations. Moreover, in the absence of correlations, as in an ordered system with zero Hubbard energy, the magnetoresistance vanishes.
Dynamical equations and transport coefficients for the metals at high pulse electromagnetic fields
International Nuclear Information System (INIS)
Volkov, N B; Chingina, E A; Yalovets, A P
2016-01-01
We offer a metal model suitable for the description of fast electrophysical processes in conductors under influence of powerful electronic and laser radiation of femto- and picosecond duration, and also high-voltage electromagnetic pulses with picosecond front and duration less than 1 ns. The obtained dynamic equations for metal in approximation of one quasineutral liquid are in agreement with the equations received by other authors formerly. New wide-range expressions for the electronic conduction in strong electromagnetic fields are obtained and analyzed. (paper)
Nasreen, Samia; Saidi, Samir; Ozturk, Ilhan
2018-04-04
We investigate this study to examine the relationship between economic growth, freight transport, and energy consumption for 63 developing countries over the period of 1990-2016. In order to make the panel data analysis more homogeneous, we apply the income level of countries to divide the global panel into three sub-panels, namely, lower-middle income countries (LMIC), upper-middle income countries (UMIC), and high-income countries (HIC). Using the generalized method of moments (GMM), the results prove evidence of bidirectional causal relationship between economic growth and freight transport for all selected panels and between economic growth and energy consumption for the high- and upper-middle income panels. For the lower-middle income panel, the causality is unidirectional running from energy consumption to economic growth. Also, the results indicate that the relationship between freight transport and energy use is bidirectional for the high-income countries and unidirectional from freight transport to energy consumption for the upper-middle and lower-middle income countries. Empirical evidence demonstrates the importance of energy for economic activity and rejects the neo-classical assumption that energy is neutral for growth. An important policy recommendation is that there is need of advancements in vehicle technology which can reduce energy intensity from transport sector and improve the energy efficiency in transport activity which in turn allows a greater positive role of transport in global economic activity.
Poola, Praveen Kumar; John, Renu
2017-10-01
We report the results of characterization of red blood cell (RBC) structure and its dynamics with nanometric sensitivity using transport of intensity equation microscopy (TIEM). Conventional transport of intensity technique requires three intensity images and hence is not suitable for studying real-time dynamics of live biological samples. However, assuming the sample to be homogeneous, phase retrieval using transport of intensity equation has been demonstrated with single defocused measurement with x-rays. We adopt this technique for quantitative phase light microscopy of homogenous cells like RBCs. The main merits of this technique are its simplicity, cost-effectiveness, and ease of implementation on a conventional microscope. The phase information can be easily merged with regular bright-field and fluorescence images to provide multidimensional (three-dimensional spatial and temporal) information without any extra complexity in the setup. The phase measurement from the TIEM has been characterized using polymeric microbeads and the noise stability of the system has been analyzed. We explore the structure and real-time dynamics of RBCs and the subdomain membrane fluctuations using this technique.
International Nuclear Information System (INIS)
Valle G, E. del; Mugica R, C.A.
2005-01-01
In our country, in last congresses, Gomez et al carried out reactivity calculations based on the solution of the diffusion equation for an energy group using nodal methods in one dimension and the TPL approach (Lineal Perturbation Theory). Later on, Mugica extended the application to the case of multigroup so much so much in one as in two dimensions (X Y geometry) with excellent results. Presently work is carried out similar calculations but this time based on the solution of the neutron transport equation in X Y geometry using nodal methods and again the TPL approximation. The idea is to provide a calculation method that allows to obtain in quick form the reactivity solving the direct problem as well as the enclosed problem of the not perturbed problem. A test problem for the one that results are provided for the effective multiplication factor is described and its are offered some conclusions. (Author)
Existence of weak solutions for compressible Navier-Stokes equations with entropy transport
Czech Academy of Sciences Publication Activity Database
Maltese, D.; Michálek, Martin; Mucha, P.; Novotný, A.; Pokorný, M.; Zatorska, E.
2016-01-01
Roč. 261, č. 8 (2016), s. 4448-4485 ISSN 0022-0396 R&D Projects: GA ČR GA13-00522S Institutional support: RVO:67985840 Keywords : Navier-Stokes equations Subject RIV: BA - General Mathematics Impact factor: 1.988, year: 2016 http://www.sciencedirect.com/science/article/pii/S0022039616301656
PB-AM: An open-source, fully analytical linear poisson-boltzmann solver
Energy Technology Data Exchange (ETDEWEB)
Felberg, Lisa E. [Department of Chemical and Biomolecular Engineering, University of California Berkeley, Berkeley California 94720; Brookes, David H. [Department of Chemistry, University of California Berkeley, Berkeley California 94720; Yap, Eng-Hui [Department of Systems and Computational Biology, Albert Einstein College of Medicine, Bronx New York 10461; Jurrus, Elizabeth [Division of Computational and Statistical Analytics, Pacific Northwest National Laboratory, Richland Washington 99352; Scientific Computing and Imaging Institute, University of Utah, Salt Lake City Utah 84112; Baker, Nathan A. [Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland Washington 99352; Division of Applied Mathematics, Brown University, Providence Rhode Island 02912; Head-Gordon, Teresa [Department of Chemical and Biomolecular Engineering, University of California Berkeley, Berkeley California 94720; Department of Chemistry, University of California Berkeley, Berkeley California 94720; Department of Bioengineering, University of California Berkeley, Berkeley California 94720; Chemical Sciences Division, Lawrence Berkeley National Labs, Berkeley California 94720
2016-11-02
We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized Poisson Boltzmann equation. The PB-AM software package includes the generation of outputs files appropriate for visualization using VMD, a Brownian dynamics scheme that uses periodic boundary conditions to simulate dynamics, the ability to specify docking criteria, and offers two different kinetics schemes to evaluate biomolecular association rate constants. Given that PB-AM defines mutual polarization completely and accurately, it can be refactored as a many-body expansion to explore 2- and 3-body polarization. Additionally, the software has been integrated into the Adaptive Poisson-Boltzmann Solver (APBS) software package to make it more accessible to a larger group of scientists, educators and students that are more familiar with the APBS framework.
Pawlasova Pavlina
2015-01-01
Satisfaction is one of the key factors which influences customer loyalty. We assume that the satisfied customer will be willing to use the ssame service provider again. The overall passengers´ satisfaction with public city transport may be affected by the overall service quality. Frequency, punctuality, cleanliness in the vehicle, proximity, speed, fare, accessibility and safety of transport, information and other factors can influence passengers´ satisfaction. The aim of this pap...
International Nuclear Information System (INIS)
Pellacani, Filippo
2012-01-01
A local mechanistic model for bubble coalescence and breakup for the one-group interfacial area transport equation has been developed, in agreement and within the limits of the current understanding, based on an exhaustive survey of the theory and of the state of the art models for bubble dynamics simulation. The new model has been tested using the commercial 3D CFD code ANSYS CFX. Upward adiabatic turbulent air-water bubbly flow has been simulated and the results have been compared with the data obtained in the experimental facility PUMA. The range of the experimental data available spans between 0.5 to 2 m/s liquid velocity and 5 to 15 % volume fraction. For the implementation of the models, both the monodispersed and the interfacial area transport equation approaches have been used. The first one to perform a detailed analysis of the forces and models to reproduce the dynamic of the dispersed phase adequately and to be used in the next phases of the work. Also two different bubble induced turbulence models have been tested to consider the effect of the presence of the gas phase on the turbulence of the liquid phase. The interfacial area transport equation has been successfully implemented into the CFD code and the state of the art breakup and coalescence models have been used for simulation. The limitations of the actual theory have been shown and a new bubble interactions model has been developed. The simulations showed that a considerable improvement is achieved if compared to the state of the art closure models. Limits in the implementation derive from the actual understanding and formulation of the bubbly dynamics. A strong dependency on the interfacial non-drag force models and coefficients have been shown. More experimental and theory work needs to be done in this field to increase the prediction capability of the simulation tools regarding the distribution of the phases along the pipe radius.
Energy Technology Data Exchange (ETDEWEB)
Bailey, T S; Adams, M L; Chang, J H
2008-10-01
We present a new spatial discretization of the discrete-ordinates transport equation in two-dimensional cylindrical (RZ) geometry for arbitrary polygonal meshes. This discretization is a discontinuous finite element method that utilizes the piecewise linear basis functions developed by Stone and Adams. We describe an asymptotic analysis that shows this method to be accurate for many problems in the thick diffusion limit on arbitrary polygons, allowing this method to be applied to radiative transfer problems with these types of meshes. We also present numerical results for multiple problems on quadrilateral grids and compare these results to the well-known bi-linear discontinuous finite element method.
Suk, Heejun
2016-08-01
This paper presents a semi-analytical procedure for solving coupled the multispecies reactive solute transport equations, with a sequential first-order reaction network on spatially or temporally varying flow velocities and dispersion coefficients involving distinct retardation factors. This proposed approach was developed to overcome the limitation reported by Suk (2013) regarding the identical retardation values for all reactive species, while maintaining the extensive capability of the previous Suk method involving spatially variable or temporally variable coefficients of transport, general initial conditions, and arbitrary temporal variable inlet concentration. The proposed approach sequentially calculates the concentration distributions of each species by employing only the generalized integral transform technique (GITT). Because the proposed solutions for each species' concentration distributions have separable forms in space and time, the solution for subsequent species (daughter species) can be obtained using only the GITT without the decomposition by change-of-variables method imposing the limitation of identical retardation values for all the reactive species by directly substituting solutions for the preceding species (parent species) into the transport equation of subsequent species (daughter species). The proposed solutions were compared with previously published analytical solutions or numerical solutions of the numerical code of the Two-Dimensional Subsurface Flow, Fate and Transport of Microbes and Chemicals (2DFATMIC) in three verification examples. In these examples, the proposed solutions were well matched with previous analytical solutions and the numerical solutions obtained by 2DFATMIC model. A hypothetical single-well push-pull test example and a scale-dependent dispersion example were designed to demonstrate the practical application of the proposed solution to a real field problem.
Strauss, R. Du Toit; Effenberger, Frederic
2017-10-01
In this review, an overview of the recent history of stochastic differential equations (SDEs) in application to particle transport problems in space physics and astrophysics is given. The aim is to present a helpful working guide to the literature and at the same time introduce key principles of the SDE approach via "toy models". Using these examples, we hope to provide an easy way for newcomers to the field to use such methods in their own research. Aspects covered are the solar modulation of cosmic rays, diffusive shock acceleration, galactic cosmic ray propagation and solar energetic particle transport. We believe that the SDE method, due to its simplicity and computational efficiency on modern computer architectures, will be of significant relevance in energetic particle studies in the years to come.
International Nuclear Information System (INIS)
Matausek, M.
1972-01-01
A new proposed method for solving the space-energy dependent spherical harmonics equations represents a methodological contribution to neutron transport theory. The proposed method was applied for solving the problem of spec-energy transport of fast and resonance neutrons in multi-zone, cylindrical y symmetric infinite reactor cell and is related to previously developed procedure for treating the thermal energy region. The advantages of this method are as follows: a unique algorithm was obtained for detailed determination of spatial and energy distribution of neutrons (from thermal to fast) in the reactor cell; these detailed distributions enable more precise calculations of criticality conditions, obtaining adequate multigroup data and better interpretation of experimental data; computing time is rather short
Nystro¨m method applied to integral formulation of the neutron transport equation in X-Y geometry
Energy Technology Data Exchange (ETDEWEB)
Azevedo, Fabio S.; Sauter, Esequia; Konzen, Pedro H.A.; Barichello, Liliane B., E-mail: fabio.azevedo@ufrgs.br, E-mail: esequia.sauter@ufrgs.br, E-mail: pedro.konzen@ufrgs.br, E-mail: lbaric@mat.ufrgs.br [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Departamento de Matem´atica Pura e Aplicada
2017-07-01
Neutron transport problems in X-Y geometry have been solved with several techniques in last decades but it is still a challenge to produce a good balance between computational efficiency and accuracy. In this work, we address this problem by efficiently applying the Nystr¨om method to the integral formulation of the transport equation. Analytical techniques, modern numerical packages and optimized implementation were applied to reduce the computational time. This method presented results free of ray effects leading to high accurate numerical results for two-dimensional scalar flux. Our implementation simulates homogeneous problems with vacuum and reflective boundary conditions. Results were validated with up to seven significant digits and compared with those available in the literature. (author)
Simulating condensation on microstructured surfaces using Lattice Boltzmann Method
Alexeev, Alexander; Vasyliv, Yaroslav
2017-11-01
We simulate a single component fluid condensing on 2D structured surfaces with different wettability. To simulate the two phase fluid, we use the athermal Lattice Boltzmann Method (LBM) driven by a pseudopotential force. The pseudopotential force results in a non-ideal equation of state (EOS) which permits liquid-vapor phase change. To account for thermal effects, the athermal LBM is coupled to a finite volume discretization of the temperature evolution equation obtained using a thermal energy rate balance for the specific internal energy. We use the developed model to probe the effect of surface structure and surface wettability on the condensation rate in order to identify microstructure topographies promoting condensation. Financial support is acknowledged from Kimberly-Clark.
BRYNTRN: A baryon transport computer code, computation procedures and data base
Wilson, John W.; Townsend, Lawrence W.; Chun, Sang Y.; Buck, Warren W.; Khan, Ferdous; Cucinotta, Frank
1988-01-01
The development is described of an interaction data base and a numerical solution to the transport of baryons through the arbitrary shield material based on a straight ahead approximation of the Boltzmann equation. The code is most accurate for continuous energy boundary values but gives reasonable results for discrete spectra at the boundary with even a relatively coarse energy grid (30 points) and large spatial increments (1 cm in H2O).
Development of a finite element method for neutron transport equation approximations
Vidal Ferràndiz, Antoni
2018-01-01
La ecuación del transporte neutrónico describe la población de neutrones y las reacciones nucleares dentro de un reactor nuclear. Primero, introducimos esta ecuación y las aproximaciones de la misma. Entonces, estudiamos la ecuación de la difusión neutrónica, la aproximación al transporte más utilizada. Para el caso estacionario, esta aproximación da lugar a un problema diferencial de valores propios. Para resolver la ecuación de la difusión se ha desarrollado un método de elementos finitos h...
Slip velocity and Knudsen layer in the lattice Boltzmann method for microscale flows.
Kim, Seung Hyun; Pitsch, Heinz; Boyd, Iain D
2008-02-01
We present mesoscopic fluid-wall interaction models for lattice Boltzmann (LB) model simulations of microscale flows. The exact solution of the slip velocity for the LB equation with the Bhatnagar-Gross-Krook collision operator is obtained for Poiseuille flow at finite Knudsen numbers. With a consistent definition of the Knudsen number, the slip coefficients of the LB equation with the standard D2Q9 scheme are found to be slightly larger than those of the Boltzmann equation with the same boundary condition, which makes the standard LB method remain quantitatively accurate only for small Knudsen numbers. By modifying the nonequilibrium energy flux or introducing the effective relaxation time, the LB method is analytically shown to reproduce the slip phenomena up to second order in the Knudsen number. For the standard LB method, the Knudsen layer is captured only with modification of the relaxation dynamics such as in the effective relaxation time model.
A Novel Highly Efficient Scheme for the Boltzmann Equation
National Aeronautics and Space Administration — In fluid dynamics, the limits of continuum mechanics are surpassed when the mean free path of molecules becomes equivalent to the characteristic length scale. This...
Coupling Boltzmann and Navier-Stokes equations by friction
Energy Technology Data Exchange (ETDEWEB)
Bourgat, J.F. [INRIA, Le Chesnay (France); Le Tallec, P. [Universite Paris, Dauphine (France)]|[INRIA, Le Chesnay (France); Tidriri, M.D. [ICASE, Hampton, VA (United States)
1996-09-01
The aim of this paper is to introduce and validate a coupled Navier-Stokes Boltzman approach for the calculation of hypersonic rarefied flows around maneuvering vehicles. The proposed strategy uses locally a kinetic model in the boundary layer coupled through wall friction forces to a global Navier-Stokes solver. Different numerical experiments illustrate the potentialities of the method. 29 refs., 24 figs.
Computational Aeroacoustics Using the Generalized Lattice Boltzmann Equation, Phase II
National Aeronautics and Space Administration — The research proposed targets airframe noise (AFN) prediction and reduction. AFN originates from complex interactions of turbulent flow with airframe components that...
Sun, Shuyu
2012-09-01
In this paper we introduce a new technique for the numerical solution of the various partial differential equations governing flow and transport phenomena in porous media. This method is proposed to be used in high level programming languages like MATLAB, Python, etc., which show to be more efficient for certain mathematical operations than for others. The proposed technique utilizes those operations in which these programming languages are efficient the most and keeps away as much as possible from those inefficient, time-consuming operations. In particular, this technique is based on the minimization of using multiple indices looping operations by reshaping the unknown variables into one-dimensional column vectors and performing the numerical operations using shifting matrices. The cell-centered information as well as the face-centered information are shifted to the adjacent face-center and cell-center, respectively. This enables the difference equations to be done for all the cells at once using matrix operations rather than within loops. Furthermore, for results post-processing, the face-center information can further be mapped to the physical grid nodes for contour plotting and stream lines constructions. In this work we apply this technique to flow and transport phenomena in porous media. © 2012 Elsevier Ltd.
Energy Technology Data Exchange (ETDEWEB)
Fournier, D.; Le Tellier, R.; Suteau, C., E-mail: damien.fournier@cea.fr, E-mail: romain.le-tellier@cea.fr, E-mail: christophe.suteau@cea.fr [CEA, DEN, DER/SPRC/LEPh, Cadarache, Saint Paul-lez-Durance (France); Herbin, R., E-mail: raphaele.herbin@cmi.univ-mrs.fr [Laboratoire d' Analyse et de Topologie de Marseille, Centre de Math´ematiques et Informatique (CMI), Universit´e de Provence, Marseille Cedex (France)
2011-07-01
The solution of the time-independent neutron transport equation in a deterministic way invariably consists in the successive discretization of the three variables: energy, angle and space. In the SNATCH solver used in this study, the energy and the angle are respectively discretized with a multigroup approach and the discrete ordinate method. A set of spatial coupled transport equations is obtained and solved using the Discontinuous Galerkin Finite Element Method (DGFEM). Within this method, the spatial domain is decomposed into elements and the solution is approximated by a hierarchical polynomial basis in each one. This approach is time and memory consuming when the mesh becomes fine or the basis order high. To improve the computational time and the memory footprint, adaptive algorithms are proposed. These algorithms are based on an error estimation in each cell. If the error is important in a given region, the mesh has to be refined (h−refinement) or the polynomial basis order increased (p−refinement). This paper is related to the choice between the two types of refinement. Two ways to estimate the error are compared on different benchmarks. Analyzing the differences, a hp−refinement method is proposed and tested. (author)
International Nuclear Information System (INIS)
Fournier, D.; Le Tellier, R.; Suteau, C.; Herbin, R.
2011-01-01
The solution of the time-independent neutron transport equation in a deterministic way invariably consists in the successive discretization of the three variables: energy, angle and space. In the SNATCH solver used in this study, the energy and the angle are respectively discretized with a multigroup approach and the discrete ordinate method. A set of spatial coupled transport equations is obtained and solved using the Discontinuous Galerkin Finite Element Method (DGFEM). Within this method, the spatial domain is decomposed into elements and the solution is approximated by a hierarchical polynomial basis in each one. This approach is time and memory consuming when the mesh becomes fine or the basis order high. To improve the computational time and the memory footprint, adaptive algorithms are proposed. These algorithms are based on an error estimation in each cell. If the error is important in a given region, the mesh has to be refined (h−refinement) or the polynomial basis order increased (p−refinement). This paper is related to the choice between the two types of refinement. Two ways to estimate the error are compared on different benchmarks. Analyzing the differences, a hp−refinement method is proposed and tested. (author)
International Nuclear Information System (INIS)
Alonso-Vargas, G.
1991-01-01
A computer program has been developed which uses a technique of synthetic acceleration by diffusion by analytical schemes. Both in the diffusion equation as in that of transport, analytical schemes were used which allowed a substantial time saving in the number of iterations required by source iteration method to obtain the K e ff. The program developed ASD (Synthetic Diffusion Acceleration) by diffusion was written in FORTRAN and can be executed on a personal computer with a hard disc and mathematical O-processor. The program is unlimited as to the number of regions and energy groups. The results obtained by the ASD program for K e ff is nearly completely concordant with those of obtained utilizing the ANISN-PC code for different analytical type problems in this work. The ASD program allowed obtention of an approximate solution of the neutron transport equation with a relatively low number of internal reiterations with good precision. One of its applications would be in the direct determinations of axial distribution neutronic flow in a fuel assembly as well as in the obtention of the effective multiplication factor. (Author)
International Nuclear Information System (INIS)
Reynolds, J. M.; Lopez-Bruna, D.
2009-01-01
This report is the first of a series dedicated to the numerical calculation of the evolution of fusion plasmas in general toroidal geometry, including TJ-II plasmas. A kinetic treatment has been chosen: the evolution equation of the distribution function of one or several plasma species is solved in guiding center coordinates. The distribution function is written as a Maxwellian one modulated by polynomial series in the kinetic coordinates with no other approximations than those of the guiding center itself and the computation capabilities. The code allows also for the inclusion of the three-dimensional electrostatic potential in a self-consistent manner, but the initial objective has been set to solving only the neoclassical transport. A high order conservative method (Spectral Difference Method) has been chosen in order to discretized the equation for its numerical solution. In this first report, in addition to justifying the work, the evolution equation and its approximations are described, as well as the baseline of the numerical procedures. (Author) 28 refs
Kulikovsky, A. A.
We consider heat balance in the catalyst layer of a low-temperature fuel cell. Based on the heat transport equation in the layer, the exact boundary condition for the problem of heat transport in the cell is obtained. The limits of validity of the resulting expression are discussed.
The influence of transport variables on isospin transport ratios
Coupland, Daniel; Lynch, William; Danielewicz, Pawel; Tsang, Betty; Zhang, Yingxun
2008-04-01
The influence of transport quantities on isospin equilibration in peripheral ^112Sn+^112Sn, ^112Sn+^124Sn, ^124Sn+^112Sn, and ^124Sn+^124Sn collisions is studied in the Boltzmann-Uehling-Uhlenbeck model. The isospin transport ratio constructed from the asymmetry of the projectile residue has been shown to contain information about the density dependence of the symmetry energy. However, the ratio also depends on the momentum dependence of the mean field, in-medium isospin nucleon-nucleon cross-sections, and the stiffness of the symmetry part of the equation of state (EOS). Our simulations will try to untangle the various effects and their influence on the extraction of the symmetry energy terms in the EOS. First results from the simulations and comparisons to other transport model calculations will be presented. This work is supported by the National Science Foundation under Grant PHY-0606007.
Development of a Prototype Lattice Boltzmann Code for CFD of Fusion Systems.
Energy Technology Data Exchange (ETDEWEB)
Pattison, Martin J; Premnath, Kannan N; Banerjee, Sanjoy; Dwivedi, Vinay
2007-02-26
ability of the LBM to scale almost linearly. The equation for magnetic induction was also solved using a lattice Boltzmann method. This approach has the advantage that it fits in well to the framework used for the hydrodynamic equations, but more importantly that it preserves the ability of the code to run efficiently on parallel architectures. Since the LBM is a relatively recent model, a number of new developments were needed to solve the magnetic induction equation for practical problems. Existing methods were only suitable for cases where the fluid viscosity and the magnetic resistivity are of the same order, and a preconditioning method was used to allow the simulation of liquid metals, where these properties differ by several orders of magnitude. An extension of this method to the hydrodynamic equations allowed faster convergence to steady state. A new method of imposing boundary conditions using an extrapolation technique was derived, enabling the magnetic field at a boundary to be specified. Also, a technique by which the grid can be stretched was formulated to resolve thin layers at high imposed magnetic fields, allowing flows with Hartmann numbers of several thousand to be quickly and efficiently simulated. In addition, a module has been developed to calculate the temperature field and heat transfer. This uses a total variation diminishing scheme to solve the equations and is again very amenable to parallelisation. Although, the module was developed with thermal modelling in mind, it can also be applied to passive scalar transport. The code is fully three dimensional and has been applied to a wide variety of cases, including both laminar and turbulent flows. Validations against a series of canonical problems involving both MHD effects and turbulence have clearly demonstrated the ability of the LBM to properly model these types of flow. As well as applications to fusion engineering, the resulting code is flexible enough to be applied to a wide range of other
Recent developments in discrete ordinates electron transport
International Nuclear Information System (INIS)
Morel, J.E.; Lorence, L.J. Jr.
1986-01-01
The discrete ordinates method is a deterministic method for numerically solving the Boltzmann equation. It was originally developed for neutron transport calculations, but is routinely used for photon and coupled neutron-photon transport calculations as well. The computational state of the art for coupled electron-photon transport (CEPT) calculations is not as developed as that for neutron transport calculations. The only production codes currently available for CEPT calculations are condensed-history Monte Carlo codes such as the ETRAN and ITS codes. A deterministic capability for production calculations is clearly needed. In response to this need, we have begun the development of a production discrete ordinates code for CEPT calculations. The purpose of this paper is to describe the basic approach we are taking, discuss the current status of the project, and present some new computational results. Although further characterization of the coupled electron-photon discrete ordinates method remains to be done, the results to date indicate that the discrete ordinates method can be just as accurate and from 10 to 100 times faster than the Monte Carlo method for a wide variety of problems. We stress that these results are obtained with standard discrete ordinates codes such as ONETRAN. It is clear that even greater efficiency can be obtained by developing a new generation of production discrete ordinates codes specifically designed to solve the Boltzmann-Fokker-Planck equation. However, the prospects for such development in the near future appear to be remote
Cusping, transport and variance of solutions to generalized Fokker-Planck equations
Carnaffan, Sean; Kawai, Reiichiro
2017-06-01
We study properties of solutions to generalized Fokker-Planck equations through the lens of the probability density functions of anomalous diffusion processes. In particular, we examine solutions in terms of their cusping, travelling wave behaviours, and variance, within the framework of stochastic representations of generalized Fokker-Planck equations. We give our analysis in the cases of anomalous diffusion driven by the inverses of the stable, tempered stable and gamma subordinators, demonstrating the impact of changing the distribution of waiting times in the underlying anomalous diffusion model. We also analyse the cases where the underlying anomalous diffusion contains a Lévy jump component in the parent process, and when a diffusion process is time changed by an uninverted Lévy subordinator. On the whole, we present a combination of four criteria which serve as a theoretical basis for model selection, statistical inference and predictions for physical experiments on anomalously diffusing systems. We discuss possible applications in physical experiments, including, with reference to specific examples, the potential for model misclassification and how combinations of our four criteria may be used to overcome this issue.
International Nuclear Information System (INIS)
Moraes, Pedro Gabriel B.; Leite, Michel C.A.; Barros, Ricardo C.
2013-01-01
In this work we developed a software to model and generate results in tables and graphs of one-dimensional neutron transport problems in multi-group formulation of energy. The numerical method we use to solve the problem of neutron diffusion is analytic, thus eliminating the truncation errors that appear in classical numerical methods, e.g., the method of finite differences. This numerical analytical method increases the computational efficiency, since they are not refined spatial discretization necessary because for any spatial discretization grids used, the numerical result generated for the same point of the domain remains unchanged unless the rounding errors of computational finite arithmetic. We chose to develop a computational application in MatLab platform for numerical computation and program interface is simple and easy with knobs. We consider important to model this neutron transport problem with a fixed source in the context of shielding calculations of radiation that protects the biosphere, and could be sensitive to ionizing radiation
Patel, Ravi A.; Perko, Janez; Jacques, Diederik
2017-04-01
Often, especially in the disciplines related to natural porous media, such as for example vadoze zone or aquifer hydrology or contaminant transport, the relevant spatial and temporal scales on which we need to provide information is larger than the scale where the processes actually occur. Usual techniques used to deal with these problems assume the existence of a REV. However, in order to understand the behavior on larger scales it is important to downscale the problem onto the relevant scale of the processes. Due to the limitations of resources (time, memory) the downscaling can only be made up to the certain lower scale. At this lower scale still several scales may co-exist - the scale which can be explicitly described and a scale which needs to be conceptualized by effective properties. Hence, models which are supposed to provide effective properties on relevant scales should therefor be flexible enough to represent complex pore-structure by explicit geometry on one side, and differently defined processes (e.g. by the effective properties) which emerge on lower scale. In this work we present the state-of-the-art lattice Boltzmann method based simulation tool applicable to advection-diffusion equation coupled to geochemical processes. The lattice Boltzmann transport solver can be coupled with an external geochemical solver which allows to account for a wide range of geochemical reaction networks through thermodynamic databases. The applicability to multiphase systems is ongoing. We provide several examples related to the calculation of an effective diffusion properties, permeability and effective reaction rate based on a continuum scale based on the pore scale geometry.
A Truly Second-Order and Unconditionally Stable Thermal Lattice Boltzmann Method
Directory of Open Access Journals (Sweden)
Zhen Chen
2017-03-01
Full Text Available An unconditionally stable thermal lattice Boltzmann method (USTLBM is proposed in this paper for simulating incompressible thermal flows. In USTLBM, solutions to the macroscopic governing equations that are recovered from lattice Boltzmann equation (LBE through Chapman–Enskog (C-E expansion analysis are resolved in a predictor–corrector scheme and reconstructed within lattice Boltzmann framework. The development of USTLBM is inspired by the recently proposed simplified thermal lattice Boltzmann method (STLBM. Comparing with STLBM which can only achieve the first-order of accuracy in time, the present USTLBM ensures the second-order of accuracy both in space and in time. Meanwhile, all merits of STLBM are maintained by USTLBM. Specifically, USTLBM directly updates macroscopic variables rather than distribution functions, which greatly saves virtual memories and facilitates implementation of physical boundary conditions. Through von Neumann stability analysis, it can be theoretically proven that USTLBM is unconditionally stable. It is also shown in numerical tests that, comparing to STLBM, lower numerical error can be expected in USTLBM at the same mesh resolution. Four typical numerical examples are presented to demonstrate the robustness of USTLBM and its flexibility on non-uniform and body-fitted meshes.
Gao, Hao; Phan, Lan; Lin, Yuting
2012-09-01
A graphics processing unit-based parallel multigrid solver for a radiative transfer equation with vacuum boundary condition or reflection boundary condition is presented for heterogeneous media with complex geometry based on two-dimensional triangular meshes or three-dimensional tetrahedral meshes. The computational complexity of this parallel solver is linearly proportional to the degrees of freedom in both angular and spatial variables, while the full multigrid method is utilized to minimize the number of iterations. The overall gain of speed is roughly 30 to 300 fold with respect to our prior multigrid solver, which depends on the underlying regime and the parallelization. The numerical validations are presented with the MATLAB codes at https://sites.google.com/site/rtefastsolver/.
Energy Technology Data Exchange (ETDEWEB)
Girardi, E
2004-12-15
A new methodology for the solution of the neutron transport equation, based on domain decomposition has been developed. This approach allows us to employ different numerical methods together for a whole core calculation: a variational nodal method, a discrete ordinate nodal method and a method of characteristics. These new developments authorize the use of independent spatial and angular expansion, non-conformal Cartesian and unstructured meshes for each sub-domain, introducing a flexibility of modeling which is not allowed in today available codes. The effectiveness of our multi-domain/multi-method approach has been tested on several configurations. Among them, one particular application: the benchmark model of the Phebus experimental facility at Cea-Cadarache, shows why this new methodology is relevant to problems with strong local heterogeneities. This comparison has showed that the decomposition method brings more accuracy all along with an important reduction of the computer time.
Czech Academy of Sciences Publication Activity Database
Holec, M.; Limpouch, J.; Liska, R.; Weber, Stefan A.
2017-01-01
Roč. 83, č. 10 (2017), s. 779-797 ISSN 0271-2091 R&D Projects: GA MŠk EF15_008/0000162; GA MŠk LQ1606 Grant - others:ELI Beamlines(XE) CZ.02.1.01/0.0/0.0/15_008/0000162 Institutional support: RVO:68378271 Keywords : radiation hydrodynamics * nonlocal transport * Knudsen number * multigroup diffusion * radiation coupling Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders OBOR OECD: Nuclear physics Impact factor: 1.652, year: 2016
Yahia, Eman; Premnath, Kannan
2017-11-01
Resolving multiscale flow physics (e.g. for boundary layer or mixing layer flows) effectively generally requires the use of different grid resolutions in different coordinate directions. Here, we present a new formulation of a multiple relaxation time (MRT)-lattice Boltzmann (LB) model for anisotropic meshes. It is based on a simpler and more stable non-orthogonal moment basis while the use of MRT introduces additional flexibility, and the model maintains a stream-collide procedure; its second order moment equilibria are augmented with additional velocity gradient terms dependent on grid aspect ratio that fully restores the required isotropy of the transport coefficients of the normal and shear stresses. Furthermore, by introducing additional cubic velocity corrections, it maintains Galilean invariance. The consistency of this stretched lattice based LB scheme with the Navier-Stokes equations is shown via a Chapman-Enskog expansion. Numerical study for a variety of benchmark flow problems demonstrate its ability for accurate and effective simulations at relatively high Reynolds numbers. The MRT-LB scheme is also shown to be more stable compared to prior LB models for rectangular grids, even for grid aspect ratios as small as 0.1 and for Reynolds numbers of 10000.
Three-dimensional Cascaded Lattice Boltzmann Model for Thermal Convective Flows
Hajabdollahi, Farzaneh; Premnath, Kannan
2017-11-01
Fluid motion driven by thermal effects, such as due to buoyancy in differentially heated enclosures arise in several natural and industrial settings, whose understanding can be achieved via numerical simulations. Lattice Boltzmann (LB) methods are efficient kinetic computational approaches for coupled flow physics problems. In this study, we develop three-dimensional (3D) LB models based on central moments and multiple relaxation times for D3Q7 and D3Q15 lattices to solve the energy transport equations in a double distribution function approach. Their collision operators lead to a cascaded structure involving higher order terms resulting in improved stability. This is coupled to a central moment based LB flow solver with source terms. The new 3D cascaded LB models for the convective flows are first validated for natural convection of air driven thermally on two vertically opposite faces in a cubic cavity at different Rayleigh numbers against prior numerical and experimental data, which show good quantitative agreement. Then, the detailed structure of the 3D flow and thermal fields and the heat transfer rates at different Rayleigh numbers are analyzed and interpreted.
Lattice Boltzmann model capable of mesoscopic vorticity computation.
Peng, Cheng; Guo, Zhaoli; Wang, Lian-Ping
2017-11-01
It is well known that standard lattice Boltzmann (LB) models allow the strain-rate components to be computed mesoscopically (i.e., through the local particle distributions) and as such possess a second-order accuracy in strain rate. This is one of the appealing features of the lattice Boltzmann method (LBM) which is of only second-order accuracy in hydrodynamic velocity itself. However, no known LB model can provide the same quality for vorticity and pressure gradients. In this paper, we design a multiple-relaxation time LB model on a three-dimensional 27-discrete-velocity (D3Q27) lattice. A detailed Chapman-Enskog analysis is presented to illustrate all the necessary constraints in reproducing the isothermal Navier-Stokes equations. The remaining degrees of freedom are carefully analyzed to derive a model that accommodates mesoscopic computation of all the velocity and pressure gradients from the nonequilibrium moments. This way of vorticity calculation naturally ensures a second-order accuracy, which is also proven through an asymptotic analysis. We thus show, with enough degrees of freedom and appropriate modifications, the mesoscopic vorticity computation can be achieved in LBM. The resulting model is then validated in simulations of a three-dimensional decaying Taylor-Green flow, a lid-driven cavity flow, and a uniform flow passing a fixed sphere. Furthermore, it is shown that the mesoscopic vorticity computation can be realized even with single relaxation parameter.
High order spectral difference lattice Boltzmann method for incompressible hydrodynamics
Li, Weidong
2017-09-01
This work presents a lattice Boltzmann equation (LBE) based high order spectral difference method for incompressible flows. In the present method, the spectral difference (SD) method is adopted to discretize the convection and collision term of the LBE to obtain high order (≥3) accuracy. Because the SD scheme represents the solution as cell local polynomials and the solution polynomials have good tensor-product property, the present spectral difference lattice Boltzmann method (SD-LBM) can be implemented on arbitrary unstructured quadrilateral meshes for effective and efficient treatment of complex geometries. Thanks to only first oder PDEs involved in the LBE, no special techniques, such as hybridizable discontinuous Galerkin method (HDG), local discontinuous Galerkin method (LDG) and so on, are needed to discrete diffusion term, and thus, it simplifies the algorithm and implementation of the high order spectral difference method for simulating viscous flows. The proposed SD-LBM is validated with four incompressible flow benchmarks in two-dimensions: (a) the Poiseuille flow driven by a constant body force; (b) the lid-driven cavity flow without singularity at the two top corners-Burggraf flow; and (c) the unsteady Taylor-Green vortex flow; (d) the Blasius boundary-layer flow past a flat plate. Computational results are compared with analytical solutions of these cases and convergence studies of these cases are also given. The designed accuracy of the proposed SD-LBM is clearly verified.
Polyelectrolyte Microcapsules: Ion Distributions from a Poisson-Boltzmann Model
Tang, Qiyun; Denton, Alan R.; Rozairo, Damith; Croll, Andrew B.
2014-03-01
Recent experiments have shown that polystyrene-polyacrylic-acid-polystyrene (PS-PAA-PS) triblock copolymers in a solvent mixture of water and toluene can self-assemble into spherical microcapsules. Suspended in water, the microcapsules have a toluene core surrounded by an elastomer triblock shell. The longer, hydrophilic PAA blocks remain near the outer surface of the shell, becoming charged through dissociation of OH functional groups in water, while the shorter, hydrophobic PS blocks form a networked (glass or gel) structure. Within a mean-field Poisson-Boltzmann theory, we model these polyelectrolyte microcapsules as spherical charged shells, assuming different dielectric constants inside and outside the capsule. By numerically solving the nonlinear Poisson-Boltzmann equation, we calculate the radial distribution of anions and cations and the osmotic pressure within the shell as a function of salt concentration. Our predictions, which can be tested by comparison with experiments, may guide the design of microcapsules for practical applications, such as drug delivery. This work was supported by the National Science Foundation under Grant No. DMR-1106331.
Element Free Lattice Boltzmann Method for Fluid-Flow Problems
Energy Technology Data Exchange (ETDEWEB)
Jo, Jong Chull; Roh, Kyung Wan; Yune, Young Gill; Kim, Hho Jhung [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of); Kwon, Young Kwon [US Naval Postgraduate School, New York (United States)
2007-10-15
The Lattice Boltzmann Method (LBM) has been developed for application to thermal-fluid problems. Most of the those studies considered a regular shape of lattice or mesh like square and cubic grids. In order to apply the LBM to more practical cases, it is necessary to be able to solve complex or irregular shapes of problem domains. Some techniques were based on the finite element method. Generally, the finite element method is very powerful for solving two or three-dimensional complex or irregular shapes of domains using the iso-parametric element formulation which is based on a mathematical mapping from a regular shape of element in an imaginary domain to a more general and irregular shape of element in the physical domain. In addition, the element free technique is also quite useful to analyze a complex shape of domain because there is no need to divide a domain by a compatible finite element mesh. This paper presents a new finite element and element free formulations for the lattice Boltzmann equation using the general weighted residual technique. Then, a series of validation examples are presented.
Lattice Boltzmann model capable of mesoscopic vorticity computation
Peng, Cheng; Guo, Zhaoli; Wang, Lian-Ping
2017-11-01
It is well known that standard lattice Boltzmann (LB) models allow the strain-rate components to be computed mesoscopically (i.e., through the local particle distributions) and as such possess a second-order accuracy in strain rate. This is one of the appealing features of the lattice Boltzmann method (LBM) which is of only second-order accuracy in hydrodynamic velocity itself. However, no known LB model can provide the same quality for vorticity and pressure gradients. In this paper, we design a multiple-relaxation time LB model on a three-dimensional 27-discrete-velocity (D3Q27) lattice. A detailed Chapman-Enskog analysis is presented to illustrate all the necessary constraints in reproducing the isothermal Navier-Stokes equations. The remaining degrees of freedom are carefully analyzed to derive a model that accommodates mesoscopic computation of all the velocity and pressure gradients from the nonequilibrium moments. This way of vorticity calculation naturally ensures a second-order accuracy, which is also proven through an asymptotic analysis. We thus show, with enough degrees of freedom and appropriate modifications, the mesoscopic vorticity computation can be achieved in LBM. The resulting model is then validated in simulations of a three-dimensional decaying Taylor-Green flow, a lid-driven cavity flow, and a uniform flow passing a fixed sphere. Furthermore, it is shown that the mesoscopic vorticity computation can be realized even with single relaxation parameter.
Sapteka, A. A. N. G.; Narottama, A. A. N. M.; Winarta, A.; Amerta Yasa, K.; Priambodo, P. S.; Putra, N.
2018-01-01
Solar energy utilized with solar panel is a renewable energy that needs to be studied further. The site nearest to the equator, it is not surprising, receives the highest solar energy. In this paper, a modelling of electrical characteristics of 150-Watt peak solar panels using Boltzmann sigmoid function under various temperature and irradiance is reported. Current, voltage, temperature and irradiance data in Denpasar, a city located at just south of equator, was collected. Solar power meter is used to measure irradiance level, meanwhile digital thermometer is used to measure temperature of front and back panels. Short circuit current and open circuit voltage data was also collected at different temperature and irradiance level. Statistically, the electrical characteristics of 150-Watt peak solar panel can be modelled using Boltzmann sigmoid function with good fit. Therefore, it can be concluded that Boltzmann sigmoid function might be used to determine current and voltage characteristics of 150-Watt peak solar panel under various temperature and irradiance.
Fast lattice Boltzmann solver for relativistic hydrodynamics.
Mendoza, M; Boghosian, B M; Herrmann, H J; Succi, S
2010-07-02
A lattice Boltzmann formulation for relativistic fluids is presented and numerically validated through quantitative comparison with recent hydrodynamic simulations of relativistic fluids. In order to illustrate its capability to handle complex geometries, the scheme is also applied to the case of a three-dimensional relativistic shock wave, generated by a supernova explosion, impacting on a massive interstellar cloud. This formulation opens up the possibility of exporting the proven advantages of lattice Boltzmann methods, namely, computational efficiency and easy handling of complex geometries, to the context of (mildly) relativistic fluid dynamics at large, from quark-gluon plasmas up to supernovae with relativistic outflows.
Energy Technology Data Exchange (ETDEWEB)
Masiello, E
2006-07-01
The principal goal of this manuscript is devoted to the investigation of a new type of heterogeneous mesh adapted to the shape of the fuel pins (fuel-clad-moderator). The new heterogeneous mesh guarantees the spatial modelling of the pin-cell with a minimum of regions. Two methods are investigated for the spatial discretization of the transport equation: the discontinuous finite element method and the method of characteristics for structured cells. These methods together with the new representation of the pin-cell result in an appreciable reduction of calculation points. They allow an exact modelling of the fuel pin-cell without spatial homogenization. A new synthetic acceleration technique based on an angular multigrid is also presented for the speed up of the inner iterations. These methods are good candidates for transport calculations for a nuclear reactor core. A second objective of this work is the application of method of characteristics for non-structured geometries to the study of double heterogeneity problem. The letters is characterized by fuel material with a stochastic dispersion of heterogeneous grains, and until now was solved with a model based on collision probabilities. We propose a new statistical model based on renewal-Markovian theory, which makes possible to take into account the stochastic nature of the problem and to avoid the approximations of the collision probability model. The numerical solution of this model is guaranteed by the method of characteristics. (author)
Energy Technology Data Exchange (ETDEWEB)
DAY,DAVID M.; NEWMAN,GREGORY A.
1999-10-01
A fast precondition technique has been developed which accelerates the finite difference solutions of the 3D Maxwell's equations for geophysical modeling. The technique splits the electric field into its curl free and divergence free projections, and allows for the construction of an inverse operator. Test examples show an order of magnitude speed up compared with a simple Jacobi preconditioner. Using this preconditioner a low frequency Neumann series expansion is developed and used to compute responses at multiple frequencies very efficiently. Simulations requiring responses at multiple frequencies, show that the Neumann series is faster than the preconditioned solution, which must compute solutions at each discrete frequency. A Neumann series expansion has also been developed in the high frequency limit along with spectral Lanczos methods in both the high and low frequency cases for simulating multiple frequency responses with maximum efficiency. The research described in this report was to have been carried out over a two-year period. Because of communication difficulties, the project was funded for first year only. Thus the contents of this report are incomplete with respect to the original project objectives.
Energy Technology Data Exchange (ETDEWEB)
Vincent M. Laboure; Yaqi Wang; Mark D. DeHart
2016-05-01
In this paper, we study the Least-Squares (LS) PN form of the transport equation compatible with voids in the context of Continuous Finite Element Methods (CFEM).We first deriveweakly imposed boundary conditions which make the LS weak formulation equivalent to the Self-Adjoint Angular Flux (SAAF) variational formulation with a void treatment, in the particular case of constant cross-sections and a uniform mesh. We then implement this method in Rattlesnake with the Multiphysics Object Oriented Simulation Environment (MOOSE) framework using a spherical harmonics (PN) expansion to discretize in angle. We test our implementation using the Method of Manufactured Solutions (MMS) and find the expected convergence behavior both in angle and space. Lastly, we investigate the impact of the global non-conservation of LS by comparing the method with SAAF on a heterogeneous test problem.
Energy Technology Data Exchange (ETDEWEB)
Laboure, Vincent M.; Wang, Yaqi; DeHart, Mark D.
2016-05-01
In this paper, we study the Least-Squares (LS) PN form of the transport equation compatible with voids [1] in the context of Continuous Finite Element Methods (CFEM).We first deriveweakly imposed boundary conditions which make the LS weak formulation equivalent to the Self-Adjoint Angular Flux (SAAF) variational formulation with a void treatment [2], in the particular case of constant cross-sections and a uniform mesh. We then implement this method in Rattlesnake with the Multiphysics Object Oriented Simulation Environment (MOOSE) framework [3] using a spherical harmonics (PN) expansion to discretize in angle. We test our implementation using the Method of Manufactured Solutions (MMS) and find the expected convergence behavior both in angle and space. Lastly, we investigate the impact of the global non-conservation of LS by comparing the method with SAAF on a heterogeneous test problem.
International Nuclear Information System (INIS)
Hamdi, Adel
2009-01-01
The aim of this paper is to localize the position of a point source and recover the history of its time-dependent intensity function that is both unknown and constitutes the right-hand side of a 1D linear transport equation. Assuming that the source intensity function vanishes before reaching the final control time, we prove that recording the state with respect to the time at two observation points framing the source region leads to the identification of the source position and the recovery of its intensity function in a unique manner. Note that at least one of the two observation points should be strategic. We establish an identification method that determines quasi-explicitly the source position and transforms the task of recovering its intensity function into solving directly a well-conditioned linear system. Some numerical experiments done on a variant of the water pollution BOD model are presented
Sokkar, T. Z. N.; El-Farahaty, K. A.; El-Bakary, M. A.; Raslan, M. I.; Omar, E. Z.; Hamza, A. A.
2018-03-01
The optical setup of the transport intensity equation (TIE) technique is developed to be valid for measuring the optical properties of the highly-oriented anisotropic fibres. This development is based on the microstructure models of the highly-oriented anisotropic fibres and the principle of anisotropy. We provide the setup of TIE technique with polarizer which is controlled via stepper motor. This developed technique is used to investigate the refractive indices in the parallel and perpendicular polarization directions of light for the highly-oriented poly (ethylene terephthalate) (PET) fibres and hence its birefringence. The obtained results through the developed TIE technique for PET fibre are compared with that determined experimentally using the Mach-Zehnder interferometer under the same conditions. The comparison shows a good agreement between the obtained results from the developed technique and that obtained from the Mach-Zehnder interferometer technique.
International Nuclear Information System (INIS)
Afsaneh, E.; Yavari, H.
2014-01-01
The superconducting reservoir effect on the current carrying transport of a double quantum dot in Markovian regime is investigated. For this purpose, a quantum master equation at finite temperature is derived for the many-body density matrix of an open quantum system. The dynamics and the steady-state properties of the double quantum dot system for arbitrary bias are studied. We will show that how the populations and coherencies of the system states are affected by superconducting leads. The energy parameter of system contains essentially four contributions due to dots system-electrodes coupling, intra dot coupling, two quantum dots inter coupling and superconducting gap. The coupling effect of each energy contribution is applied to currents and coherencies results. In addition, the effect of energy gap is studied by considering the amplitude and lifetime of coherencies to get more current through the system. (author)
International Nuclear Information System (INIS)
Chalhoub, Ezzat Selim
1997-01-01
The method of discrete ordinates is applied to the solution of the slab albedo problem with azimuthal dependence in transport theory. A new set of quadratures appropriate to the problem is introduced. In addition to the ANISN code, modified to include the proposed formalism, two new programs, PEESNC and PEESNA, which were created on the basis of the discrete ordinates formalism, using the direct integration method and the analytic solution method respectively, are used in the generation of results for a few sample problems. Program PEESNC was created to validate the results obtained with the discrete ordinates method and the finite difference approximation (ANISN), while program PEESNA was developed in order to implement an analytical discrete ordinates formalism, which provides more accurate results. The obtained results for selected sample problems are compared with highly accurate numerical results published in the literature. Compared to ANISN and PEESNC, program PEESNA presents a greater efficiency in execution time and much more precise numerical results. (author)
Use of simple transport equations to estimate waste package performance requirements
International Nuclear Information System (INIS)
Wood, B.J.
1982-01-01
A method of developing waste package performance requirements for specific nuclides is described. The method is based on: Federal regulations concerning permissible concentrations in solution at the point of discharge to the accessible environment; a simple and conservative transport model; baseline and potential worst-case release scenarios. Use of the transport model enables calculation of maximum permissible release rates within a repository in basalt for each of the scenarios. The maximum permissible release rates correspond to performance requirements for the engineered barrier system. The repository was assumed to be constructed in a basalt layer. For the cases considered, including a well drilled into an aquifer 1750 m from the repository center, little significant advantage is obtained from a 1000-yr as opposed to a 100-yr waste package. A 1000-yr waste package is of importance only for nuclides with half-lives much less than 100 yr which travel to the accessible environment in much less than 1000 yr. Such short travel times are extremely unlikely for a mined repository. Among the actinides, the most stringent maximum permissible release rates are for 236 U and 234 U. A simple solubility calculation suggests, however, that these performance requirements can be readily met by the engineered barrier system. Under the reducing conditions likely to occur in a repository located in basalt, uranium would be sufficiently insoluble that no solution could contain more than about 0.01% of the maximum permissible concentration at saturation. The performance requirements derived from the one-dimensional modeling approach are conservative by at least one to two orders of magnitude. More quantitative three-dimensional modeling at specific sites should enable relaxation of the performance criteria derived in this study. 12 references, 8 figures, 8 tables
Modeling electron transport in the presence of electric and magnetic fields.
Energy Technology Data Exchange (ETDEWEB)
Fan, Wesley C.; Drumm, Clifton Russell; Pautz, Shawn D.; Turner, C. David
2013-09-01
This report describes the theoretical background on modeling electron transport in the presence of electric and magnetic fields by incorporating the effects of the Lorentz force on electron motion into the Boltzmann transport equation. Electromagnetic fields alter the electron energy and trajectory continuously, and these effects can be characterized mathematically by differential operators in terms of electron energy and direction. Numerical solution techniques, based on the discrete-ordinates and finite-element methods, are developed and implemented in an existing radiation transport code, SCEPTRE.
DEFF Research Database (Denmark)
Paz-Garcia, Juan Manuel; Johannesson, Björn; Ottosen, Lisbeth M.
2010-01-01
. Electrical neutrality was continuously assured in the model by the inclusion of the Poisson-Boltzmann equation to the system of governing equations. Voltage differences were applied across the sample as boundary conditions in order to evaluate the competition between diffusion and electromigration terms......A model to predict the transport of ionic species within the pore solution of porous materials, under the effect of an external electric field has been developed. A Finite Elements method was implemented and used for the integration of the Nernst-Plank equations for each ionic species considered...
Davit, Y.
2012-07-26
In this work, we study the transient behavior of homogenized models for solute transport in two-region porous media. We focus on the following three models: (1) a time non-local, two-equation model (2eq-nlt). This model does not rely on time constraints and, therefore, is particularly useful in the short-time regime, when the timescale of interest (t) is smaller than the characteristic time (τ 1) for the relaxation of the effective macroscale parameters (i. e., when t ≤ τ 1); (2) a time local, two-equation model (2eq). This model can be adopted when (t) is significantly larger than (τ 1) (i.e., when t≫τ 1); and (3) a one-equation, time-asymptotic formulation (1eq ∞). This model can be adopted when (t) is significantly larger than the timescale (τ 2) associated with exchange processes between the two regions (i. e., when t≫τ 2). In order to obtain insight into this transient behavior, we combine a theoretical approach based on the analysis of spatial moments with numerical and analytical results in several simple cases. The main result of this paper is to show that there is only a weak asymptotic convergence of the solution of (2eq) towards the solution of (1eq ∞) in terms of standardized moments but, interestingly, not in terms of centered moments. The physical interpretation of this result is that deviations from the Fickian situation persist in the limit of long times but that the spreading of the solute is eventually dominating these higher order effects. © 2012 Springer Science+Business Media B.V.
International Nuclear Information System (INIS)
Henderson, D.L.
1987-01-01
Time-dependent integral transport equation flux and current kernels for plane and spherical geometry are derived for homogeneous media. Using the multiple collision formalism, isotropic sources that are delta distributions in time are considered for four different problems. The plane geometry flux kernel is applied to a uniformly distributed source within an infinite medium and to a surface source in a semi-infinite medium. The spherical flux kernel is applied to a point source in an infinite medium and to a point source at the origin of a finite sphere. The time-dependent first-flight leakage rates corresponding to the existing steady state first-flight escape probabilities are computed by the Laplace transform technique assuming a delta distribution source in time. The case of a constant source emitting neutrons over a time interval, Δt, for a spatially uniform source is obtained for a slab and a sphere. Time-dependent first-flight leakage rates are also determined for the general two region spherical medium problem for isotropic sources with a delta distribution in time uniformly distributed throughout both the inner and outer regions. The time-dependent collision rates due to the uncollided neutrons are computed for a slab and a sphere using the time-dependent first-flight leakage rates and the time-dependent continuity equation. The case of a constant source emitting neutrons over a time interval, Δt, is also considered
Multispeed models in off-lattice Boltzmann simulations
Bardow, A.; Karlin, I.V.; Gusev, A.A.
2008-01-01
The lattice Boltzmann method is a highly promising approach to the simulation of complex flows. Here, we realize recently proposed multispeed lattice Boltzmann models [S. Chikatamarla et al., Phys. Rev. Lett. 97 190601 (2006)] by exploiting the flexibility offered by off-lattice Boltzmann methods.
International Nuclear Information System (INIS)
Tai, D.; Underhill, G.K.
1975-01-01
The Boltzmann integrodifferential neutron transport equation has been converted to an integral equation which incorporates the isotropic neutron bath boundary condition. The resulting integral equation is solved using the discrete ordinates method, resulting in solutions for the spatially-dependent and -independent fluxes in terms of transport probabilities and the neutron emission density. The transport probabilities and the lethargy-dependence solution are evaluated using a normalization condition and a neutron conservation equation, respectively, to correct for inherent error propagation. The formalism is applied to the calculation of uranium resonance integrals for a spherical, two-region lump consisting of a spherical absorber surrounded by a spherical cadmium cover. Calculated and experimental results for uranium-235 fission and uranium-238 capture resonance integrals compare favorably. 11 references. (U.S.)
Reis, T.
2010-09-06
Existing lattice Boltzmann models that have been designed to recover a macroscopic description of immiscible liquids are only able to make predictions that are quantitatively correct when the interface that exists between the fluids is smeared over several nodal points. Attempts to minimise the thickness of this interface generally leads to a phenomenon known as lattice pinning, the precise cause of which is not well understood. This spurious behaviour is remarkably similar to that associated with the numerical simulation of hyperbolic partial differential equations coupled with a stiff source term. Inspired by the seminal work in this field, we derive a lattice Boltzmann implementation of a model equation used to investigate such peculiarities. This implementation is extended to different spacial discretisations in one and two dimensions. We shown that the inclusion of a quasi-random threshold dramatically delays the onset of pinning and facetting.
Numerical study of convection in phase change material based on Lattice-Boltzmann method
Zhang, Tianyu; Feng, Ying; Zhao, Zhening
2017-06-01
In this paper, the lattice Boltzmann method was studied for the phase change process with convective heat transfer in phase change energy storage materials. Firstly, the macroscopic heat transfer equations for the phase change process with convective heat transfer was given, by which we built the lattice Boltzmann equations for solving the problems. In the model, the speed model of D2Q9 was selected, and the boundary conditions including of non-equilibrium extrapolation and bounce back scheme were selected. Then, the effects of different Rayleigh number on the temperature field and velocity field were analyzed. Further research in a square cavity heat transfer processes with high temperature object and low temperature object were studied, in order to observe the effects of different temperature objects in the phase change process using the changes of phase field.
A verification regime for the spatial discretization of the SN transport equations
International Nuclear Information System (INIS)
Schunert, S.; Azmy, Y.
2012-01-01
The order-of-accuracy test in conjunction with the method of manufactured solutions is the current state of the art in computer code verification. In this work we investigate the application of a verification procedure including the order-of-accuracy test on a generic SN transport solver that implements the AHOTN spatial discretization. Different types of semantic errors, e.g. removal of a line of code or changing a single character, are introduced randomly into the previously verified S N code and the proposed verification procedure is used to identify the coding mistakes (if possible) and classify them. Itemized by error type we record the stage of the verification procedure where the error is detected and report the frequency with which the errors are correctly identified at various stages of the verification. Errors that remain undetected by the verification procedure are further scrutinized to determine the reason why the introduced coding mistake eluded the verification procedure. The result of this work is that the verification procedure based on an order-of-accuracy test finds almost all detectable coding mistakes but rarely, 1.44% of the time, and under certain circumstances can fail. (authors)
International Nuclear Information System (INIS)
Sanchez, Richard
1977-01-01
A set of approximate solutions for the isotropic two-dimensional neutron transport problem has been developed using the Interface Current formalism. The method has been applied to regular lattices of rectangular cells containing a fuel pin, cladding and water, or homogenized structural material. The cells are divided into zones which are homogeneous. A zone-wise flux expansion is used to formulate a direct collision probability problem within a cell. The coupling of the cells is made by making extra assumptions on the currents entering and leaving the interfaces. Two codes have been written: the first uses a cylindrical cell model and one or three terms for the flux expansion; the second uses a two-dimensional flux representation and does a truly two-dimensional calculation inside each cell. In both codes one or three terms can be used to make a space-independent expansion of the angular fluxes entering and leaving each side of the cell. The accuracies and computing times achieved with the different approximations are illustrated by numerical studies on two benchmark pr
Hao, Tian; Xu, Yuanze; Hao, Ting
2018-04-01
The Eyring's rate process theory and free volume concept are employed to treat protons (or other particles) transporting through a 2D (two dimensional) crystal like graphene and hexagonal boron nitride. The protons are assumed to be activated first in order to participate conduction and the conduction rate is dependent on how much free volume available in the system. The obtained proton conductivity equations show that only the number of conduction protons, proton size and packing structure, and the energy barrier associated with 2D crystals are critical; the quantization conductance is unexpectedly predicted with a simple Arrhenius type temperature dependence. The predictions agree well with experimental observations and clear out many puzzles like much smaller energy barrier determined from experiments than from the density function calculations and isotope separation rate independent of the energy barrier of 2D crystals, etc. Our work may deepen our understandings on how protons transport through a membrane and has direct implications on hydrogen related technology and proton involved bioprocesses.
Quantum Heat Engine and Negative Boltzmann Temperature
Xi, Jing-Yi; Quan, Hai-Tao
2017-09-01
To clarify the ambiguity on negative Boltzmann temperature in literature, we study the Carnot and the Otto cycle with one of the heat reservoirs at the negative Boltzmann temperature based on a canonical ensemble description. The work extraction, entropy production and the efficiency of these cycles are explored. Conditions for constructing and properties of these thermodynamic cycles are elucidated. We find that the apparent “violation” of the second law of thermodynamics in these cycles are due to the fact that the traditional definition of thermodynamic efficiency is inappropriate in this situation. When properly understanding the efficiency and the adiabatic processes, in which the system crosses over “absolute ZERO” in a limit sense, the Carnot cycle with one of the heat reservoirs at a negative Boltzmann temperature can be understood straightforwardly, and it contradicts neither the second nor the third law of thermodynamics. Hence, negative Boltzmann temperature is a consistent concept in thermodynamics. We use a two-level system and an Ising spin system to illustrate our central results. Support from the National Science Foundation of China under Grants Nos. 11375012, 11534002, and The Recruitment Program of Global Youth Experts of China
Quantum Heat Engine and Negative Boltzmann Temperature
International Nuclear Information System (INIS)
Xi Jing-Yi; Quan Hai-Tao
2017-01-01
To clarify the ambiguity on negative Boltzmann temperature in literature, we study the Carnot and the Otto cycle with one of the heat reservoirs at the negative Boltzmann temperature based on a canonical ensemble description. The work extraction, entropy production and the efficiency of these cycles are explored. Conditions for constructing and properties of these thermodynamic cycles are elucidated. We find that the apparent “violation” of the second law of thermodynamics in these cycles are due to the fact that the traditional definition of thermodynamic efficiency is inappropriate in this situation. When properly understanding the efficiency and the adiabatic processes, in which the system crosses over “absolute ZERO” in a limit sense, the Carnot cycle with one of the heat reservoirs at a negative Boltzmann temperature can be understood straightforwardly, and it contradicts neither the second nor the third law of thermodynamics. Hence, negative Boltzmann temperature is a consistent concept in thermodynamics. We use a two-level system and an Ising spin system to illustrate our central results. (paper)